Two-dimensional vibrational spectroscopy of the amide I band of crystalline acetanilide: Fermi resonance, conformational substates, or vibrational self-trapping?

Science.gov (United States)

Edler, J.; Hamm, P.

2003-08-01

Two-dimensional infrared (2D-IR) spectroscopy is applied to investigate acetanilide, a molecular crystal consisting of quasi-one-dimensional hydrogen bonded peptide units. The amide-I band exhibits a double peak structure, which has been attributed to different mechanisms including vibrational self-trapping, a Fermi resonance, or the existence of two conformational substates. The 2D-IR spectrum of crystalline acetanilide is compared with that of two different molecular systems: (i) benzoylchloride, which exhibits a strong symmetric Fermi resonance and (ii) N-methylacetamide dissolved in methanol which occurs in two spectroscopically distinguishable conformations. Both 2D-IR spectra differ significantly from that of crystalline acetanilide, proving that these two alternative mechanisms cannot account for the anomalous spectroscopy of crystalline acetanilide. On the other hand, vibrational self-trapping of the amide-I band can naturally explain the 2D-IR response.

Effect of correlation on the band structure of α-cerium

International Nuclear Information System (INIS)

Rao, R.S.; Singh, R.P.

1975-01-01

The electronic band structure of f.c.c. phase of the rare earth metal cerium (α-cerium) has been calculated using a formulation of the crystal potential where correlation also has been included in addition to exchange. The Green's function method of Korringa-Kohn and Rostoker has been used due to obvious advantages in calculation. The calculations indicate that the s-d bands are hybridized with the f-levels but the f-bands are fairly narrow and lie slightly above the Fermi level. The structure of the bands is qualitatively similar to those of calculations by others except for a general shift of the entire set of bands by about 0.1 Ryd. Thd density of states has also been calculated from the bands obtained. The spin susceptibility of α-cerium has also been calculated using the Kohn-Sham method. However, the calculated additional contributions to the band structure values cannot still explain the large experimental values reported in the literature. (author)

Theoretical reconsideration of antiferromagnetic Fermi surfaces in URu2Si2

International Nuclear Information System (INIS)

Yamagami, Hiroshi

2011-01-01

In an itinerant 5f-band model, the antiferromagnetic (AFM) Fermi surfaces of URu 2 Si 2 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 URu 2 Si 2 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.

Prediction of Fermi-Surface Pressure Dependence in Rb and Cs

DEFF Research Database (Denmark)

Jan, J. P.; MacDonald, A. H.; Skriver, Hans Lomholt

1980-01-01

The linear muffin-tin orbitals method of band-structure calculation, combined with a Gaussian integration technique using special directions in the Brillouin zone, has been used to calculate Fermi radii and extremal cross-sectional areas of the Fermi surface in rubidium and cesium. Band shifts we......-surface pressure dependence agree with the limited experimental data available....

Quasiparticles and Fermi liquid behaviour in an organic metal

Science.gov (United States)

Kiss, T.; Chainani, A.; Yamamoto, H.M.; Miyazaki, T.; Akimoto, T.; Shimojima, T.; Ishizaka, K.; Watanabe, S.; Chen, C.-T.; Fukaya, A.; Kato, R.; Shin, S.

2012-01-01

Many organic metals display exotic properties such as superconductivity, spin-charge separation and so on and have been described as quasi-one-dimensional Luttinger liquids. However, a genuine Fermi liquid behaviour with quasiparticles and Fermi surfaces have not been reported to date for any organic metal. Here, we report the experimental Fermi surface and band structure of an organic metal (BEDT-TTF)3Br(pBIB) obtained using angle-resolved photoelectron spectroscopy, and show its consistency with first-principles band structure calculations. Our results reveal a quasiparticle renormalization at low energy scales (effective mass m*=1.9 me) and ω2 dependence of the imaginary part of the self energy, limited by a kink at ~50 meV arising from coupling to molecular vibrations. The study unambiguously proves that (BEDT-TTF)3Br(pBIB) is a quasi-2D organic Fermi liquid with a Fermi surface consistent with Shubnikov-de Haas results. PMID:23011143

Relativistic band-structure calculations for CeTIn sub 5 (T=Ir and Co) and analysis of the energy bands by using tight-binding method

CERN Document Server

Maehira, T; Ueda, K; Hasegawa, A

2003-01-01

In order to investigate electronic properties of recently discovered heavy fermion superconductors CeTIn sub 5 (T=Ir and Co), we employ the relativistic linear augmented-plane-wave (RLAPW) method to clarify the energy band structures and Fermi surfaces of those materials. The obtained energy bands mainly due to the large hybridization between Ce 4 f and In 5 p states well reproduce the Fermi surfaces consistent with the de Haas-van Alphen experimental results. However, when we attempt to understand magnetism and superconductively in CeTIn sub 5 from the microscopic viewpoint, the energy bands obtained in the RLAPW method are too complicated to analyze the system by further including electron correlations. Thus, it is necessary to prepare a more simplified model, keeping correctly the essential characters of the energy bands obtained in the band-structure calculation. For the purpose, we construct a tight-binding model for CeTIn sub 5 by including f-f and p-p hoppings as well as f-p hybridization, which are ex...

Calculation of the band structure of GdCo2, GdRh2 e GdIr2 by the APW method

International Nuclear Information System (INIS)

Carvalho, J.A.B. de.

1974-03-01

The band structure of GdCo 2 , GdRh 2 , GdIr 2 has been calculated by the APW method. A histogram of the density of states is presented for each compound. The bands are transition-metal-like, with s-d hybridization near the Fermi level. The 5d character near the Fermi level increases as one goes from Co to Ir

Resolution of the 179W-isomer anomaly: Exposure of a Fermi-aligned s band

International Nuclear Information System (INIS)

Walker, P.M.; Dracoulis, G.D.; Byrne, A.P.; Fabricius, B.; Kibedi, T.; Stuchbery, A.E.; Department of Physics, University of Surrey, Guildford, GU2 5XH United Kingdom)

1991-01-01

The K π =35/2 - , five-quasiparticle isomer in 179 W is shown to decay into the region of a backbend in the 7/2 - [514] band, allowing for the first time the identification of a full set of aligned-band states. Destructive interference results from level mixing in the band-crossing region. The deduced γ-ray branching ratios are used to establish the mixing matrix elements and to show that the aligned band has a high value of the K quantum number. The properties of well-defined alignment and yet also high K provide the first clear example of a Fermi-aligned s band. The anomalous decay of the isomer itself is now explained

A fermi liquid electric structure and the nature of the carriers in high-T/sub c/ cuprates: A photoemission study

Energy Technology Data Exchange (ETDEWEB)

Arko, A.J.; List, R.S.; Bartlett, R.J.; Cheong, S.W.; Fisk, Z.; Thompson, J.D.; Olson, C.G.; Yang, A.B.; Liu, R.; Gu, C.; Veal, B.W.; Liu, J.Z.; Paulikas, A.P.; Vandervoort, K.; Claus, H.; Campuzano, J.C.; Schirber, J.E.; Shinn, N.D.

1989-01-01

We have performed angle-integrated and angle-resolved photoemission measurements at 20 K on well-characterized single crystals of high-T/sub c/ cuprates (both 1:2:3-type and 2:2:1:2-type) cleaved in situ, and find a relatively large, resolution limited Fermi edge which shows large amplitude variations with photon energy, indicative of band structure final state effects. The lineshapes of the spectra of the 1:2:3 materials as a function of photon energy are well reproduced by band structure predictions, indicating a correct mix of 2p and 3d orbitals on the calculations, while the energy positions of the peaks agree with calculated bands only to within /approx/0.5 eV. This may yet prove to reflect the effects of Coulomb correlation. We nevertheless conclude that a Fermi liquid approach to conductivity is appropriate. Angle-resolved data, while still incomplete, suggest agreement with the Fermi surface predicted by the LDA calculations. A BCS-like energy gap is observed in the 2:2:1:2 materials, whose magnitude is twice the weak coupling BCS value (i.e., 2/Delta/ = 7 KT/sub c/). 49 refs., 11 figs.

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

International Nuclear Information System (INIS)

Zhang, P.; Ma, J.; Qian, T.; Richard, P.; Ding, H.; Xu, N.; Xu, Y.-M.; Fedorov, A. V.; Denlinger, J. D.; Gu, G. D.

2014-01-01

We used in-situ potassium (K) evaporation to dope the surface of the iron-based superconductor FeTe 0.55 Se 0.45 . The systematic study of the bands near the Fermi level confirms that electrons are doped into the system, allowing us to tune the Fermi level of this material and to access otherwise unoccupied electronic states. In particular, we observe an electron band located above the Fermi level before doping that shares similarities with a small three-dimensional pocket observed in the cousin, heavily electron-doped KFe 2−x Se 2 compound.

Surface band structures on Nb(001)

International Nuclear Information System (INIS)

Fang, B.; Lo, W.; Chien, T.; Leung, T.C.; Lue, C.Y.; Chan, C.T.; Ho, K.M.

1994-01-01

We report the joint studies of experimental and theoretical surface band structures of Nb(001). Angle-resolved photoelectron spectroscopy was used to determine surface-state dispersions along three high-symmetry axes bar Γ bar M, bar Γ bar X, and bar M bar X in the surface Brillouin zone. Ten surface bands have been identified. The experimental data are compared to self-consistent pseudopotential calculations for the 11-layer Nb(001) slabs that are either bulk terminated or fully relaxed (with a 12% contraction for the first interlayer spacing). The band calculations for a 12% surface-contracted slab are in better agreement with the experimental results than those for a bulk-terminated slab, except for a surface resonance near the Fermi level, which is related to the spin-orbit interaction. The charge profiles for all surface states or resonances have been calculated. Surface contraction effects on the charge-density distribution and the energy position of surface states and resonances will also be discussed

Quasiparticle excitations in valence-fluctuation materials: effects of band structure and crystal fields

International Nuclear Information System (INIS)

Brandow, B.H.

1985-01-01

Evidence is now quite strong that the elementary hybridization model is the correct way to understand the lattice-coherent Fermi liquid regime at very low temperatures. Many-body theory leads to significant renormalizations of the input parameters, and many of the band-theoretic channels for hybridization are suppressed by the combined effects of Hund's-rule coupling, crystal-field splitting, and the f-f Coulomb repulsion U. Some exploratory calculations based on this picture are described, and some inferences are drawn about the band structures of several heavy-fermion materials. These inferences can and should be tested by suitably modified band-theoretic calculations. We find evidence for a significant Baber-scattering contribution in the very-low-temperature resistivity. A new mechanism is proposed for crossover from the coherent Fermi-liquid regime to the incoherent dense-Kondo regime. 28 refs

Resolution of the 179W isomer anomaly: exposure of a fermi aligned s-band

International Nuclear Information System (INIS)

Walker, P.M.; Surrey Univ., Guildford; Dracoulis, G.D.; Byrne, A.P.; Fabricius, B.; Kibedi, T.; Stuchbery, A.E.

1991-06-01

The K Π = 35/2 - , five quasiparticle isomer in 179 W is shown to decay into the region of a backbend in the 7/2 - [514] band, allowing for the first time the identification of a full set of aligned-band states. Destructive interference results from level-mixing in the band-crossing region. The deduced γ-ray branching ratios are used to establish the mixing matrix elements and to show that the aligned band has a high value of the K-quantum number. The properties of well-defined alignment and yet also high-K, provided the first clear example of a Fermi Aligned s-band. The anomalous decay of the isomer itself is now explained. 11 refs., 1 tab., 3 figs

Theoretical reconsideration of antiferromagnetic Fermi surfaces in URu{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Yamagami, Hiroshi, E-mail: yamagami@cc.kyoto-su.ac.jp [Department of Physics, Faculty of Science, Kyoto Sangyo University, Kyoto 603-8555 (Japan)

2011-01-01

In an itinerant 5f-band model, the antiferromagnetic (AFM) Fermi surfaces of URu{sub 2}Si{sub 2} 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 URu{sub 2}Si{sub 2} 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.

Relativistic band-structure calculations for electronic properties of actinide dioxides

International Nuclear Information System (INIS)

Maehira, Takahiro; Hotta, Takashi

2007-01-01

Energy band structures of actinide dioxides AnO 2 (An=Th, U, Np, and Pu) are investigated by a relativistic linear augmented-plane-wave method with the exchange-correlation potential in a local density approximation (LDA). It is found in common that the energy bands in the vicinity of the Fermi level are mainly due to the hybridization between actinide 5f and oxygen 2p electrons. By focusing on the crystalline electric field states, we point out the problem in the application of the LDA to AnO 2

Magnetic breakdown in an array of overlapping Fermi surfaces

International Nuclear Information System (INIS)

Kadigrobov, A.M.; Radić, D.; Bjeliš, A.

2015-01-01

We develop a theoretical framework for a magnetic breakdown in an array of circular two-dimensional bands with a finite overlap of neighboring Fermi surfaces due to the presence of a presumably weak periodic potential, and apply the obtained results to the electron bands in carbon honeycomb structures of doped graphene and intercalated graphite compounds. In contrast to the standard treatment, inaugurated more than fifty years ago by Slutskin and Kadigrobov, with electron semiclassical trajectories encircling significantly overlapping Fermi surfaces, we examine a configuration in which bands are related in a way that the Fermi surfaces only slightly overlap, forming internal band pockets with areas of the size comparable to the area of the quantum magnetic flux for a given external magnetic field. Such band configuration has to be treated quantum mechanically. The calculation leads to the results for magnetic breakdown coefficients comprising an additional large factor with respect to the standard results, proportional to the ratio of the Fermi energy and the cyclotron energy. Also, these coefficients show oscillating dependence on energy, as well as on the wave number of periodic potential. Both mentioned elements enable the adjustment of the preferred wave vector of possible magnetic breakdown induced density wave instability at the highest possible critical temperature

Photo field emission spectroscopy of the tantalum band structure

International Nuclear Information System (INIS)

Kleint, Ch.; Radon, T.

1978-01-01

Photo field emission (PFE) currents of clean and barium covered tantalum tips have been measured with single lines of the mercury arc spectrum and phase-sensitive detection. Field strength and work function were determined from Fowler-Nordheim plots of the FE currents. Shoulders in the PFE current-voltage characteristics could be correlated to transitions in the band structure of tantalum according to a recently proposed two-step PFE model. A comparison with the relativistic calculations of Mattheiss and the nonrelativistic bands of Petroff and Viswanathan shows that Mattheiss' bands are more appropriate. Beside direct transitions several nondirect transitions from the different features composing the upper two density of states maxima below the Fermi edge of tantalum have been found. (Auth.)

Volume and surface photoemission from tungsten. I. Calculation of band structure and emission spectra

DEFF Research Database (Denmark)

Christensen, N. Egede; Feuerbacher, B.

1974-01-01

is obtained from an ad hoc potential based on a Dirac-Slater atomic calculation for the ground-state configuration and with full Slater exchange in the atomic as well as in the crystal potential. The selection of this best potential is justified by comparing the calculated band structure to Fermi...... of states. The present work includes a crude estimate of this surface density of states, which is derived from the bulk band structure by narrowing the d bands according to an effective number of neighbors per surface atom. Estimates of surface relaxation effects are also included.......The electronic energy-band structure of tungsten has been calculated by means of the relativistic-augmented-plane-wave method. A series of mutually related potentials are constructed by varying the electronic configuration and the amount of Slater exchange included. The best band structure...

The Fermi surface of CeSb

International Nuclear Information System (INIS)

Crabtree, G.W.; Aoki, H.; Joss, W.; Hulliger, F.

1987-01-01

This paper uses accurate Fermi surface measurements as a test of hybridization models in CeSb. Detailed measurements of the Fermi surface geometry and effective masses are presented which show a number of unusual properties associated with the magnetic structure and anisotropy. Measurements are compared with predictions of a band structure in which the f-electron is assumed to be local, interacting with the conduction electrons only through anisotropic Coulomb and exchange interactions. This model reproduces all the unusual features observed in the measurements and suggests that hybridization is not essential to describing the electronic properties of CeSb

Electronic band structure of TiFese2 in ferromagnetic phase

International Nuclear Information System (INIS)

Jahangirli, Z.A.; Mimura, K.; Shim, Y.; Mamedov, N.T.; Wakita, K.; Orudzhev, G.S.; Jahangirli, Z.A.

2011-01-01

Electronic band structure of crystalline TiFeSe 2 has been calculated using full-potential method of Linear Augmented Plane Wave (LAPW) in density-functional approach with exchange-correlation potential taken in Generalized Gradient Approximation (GGA). The chemical bond in TiFeSe 2 is shown to be metallic because energies of 3d-electrons localized at iron atoms are close to Fermi energy level

Band structure of metallic pyrochlore ruthenates Bi2Ru2O7 and Pb2Ru2O/sub 6.5/

International Nuclear Information System (INIS)

Hsu, W.Y.; Kasowski, R.V.; Miller, T.; Chiang, T.

1988-01-01

The band structure of Bi 2 Ru 2 O 7 and Pb 2 Ru 2 O/sub 6.5/ has been computed self-consistently from first principles for the first time by the pseudofunction method. We discover that the 6s bands of Bi and Pb are very deep and unlikely to contribute to the metallic behavior as previously believed. The unoccupied 6p bands, however, are only several eV above the Fermi energy and are mixed with the Ru 4d band at the Fermi surface via the framework O atoms, leading to band conduction and delocalized magnetic moments. The predicted location of the 6s bands and the location and width of the O 2p band are confirmed by synchrotron radiation and ultraviolet electron spectroscopy of single crystals

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

Science.gov (United States)

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.

Transparent Conducting Oxides for Photovoltaics: Manipulation of Fermi Level, Work Function and Energy Band Alignment

Directory of Open Access Journals (Sweden)

Diana E. Proffit

2010-11-01

Full Text Available Doping limits, band gaps, work functions and energy band alignments of undoped and donor-doped transparent conducting oxides Zn0, In2O3, and SnO2 as accessed by X-ray and ultraviolet photoelectron spectroscopy (XPS/UPS are summarized and compared. The presented collection provides an extensive data set of technologically relevant electronic properties of photovoltaic transparent electrode materials and illustrates how these relate to the underlying defect chemistry, the dependence of surface dipoles on crystallographic orientation and/or surface termination, and Fermi level pinning.

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

Science.gov (United States)

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.

Energy Band Gap, Intrinsic Carrier Concentration and Fermi Level of CdTe Bulk Crystal between 304 K and 1067 K

Science.gov (United States)

Su, Ching-Hua

2007-01-01

Optical transmission measurements were performed on CdTe bulk single crystal. It was found that when a sliced and polished CdTe wafer was used, a white film started to develop when the sample was heated above 530 K and the sample became opaque. Therefore, a bulk crystal of CdTe was first grown in the window area by physical vapor transport; the optical transmission was then measured and from which the energy band gap was derived between 304 and 1067 K. The band gaps of CdTe can be fit well as a function of temperature using the Varshini expression: Eg (e V) = 1.5860 - 5.9117xl0(exp -4) T(sup 2)/(T + 160). Using the band gap data, the high temperature electron-hole equilibrium was calculated numerically by assuming the Kane's conduction band structure and a heavy-hole parabolic valance band. The calculated intrinsic carrier concentrations agree well with the experimental data reported previously. The calculated intrinsic Fermi levels between 270 and 1200 K were also presented.

Approaching an organic semimetal: Electron pockets at the Fermi level for a p-benzoquinonemonoimine zwitterion

Energy Technology Data Exchange (ETDEWEB)

Rosa, Luis G.; Velev, Julian [Department of Physics and Electronics, University of Puerto Rico, Humacao (United States); Institute for Functional Nanomaterials, University of Puerto Rico, San Juan (United States); Department of Physics and Astronomy, Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, NE (United States); Zhang, Zhengzheng [Department of Physics, University of Puerto Rico, Rio Piedras, San Juan (United States); Alvira, Jose; Vega, Omar; Diaz, Gerson [Department of Physics and Electronics, University of Puerto Rico, Humacao (United States); Routaboul, Lucie; Braunstein, Pierre [Laboratoire de Chimie de Coordination, Institut de Chimie (UMR 7177 CNRS), Universite de Strasbourg (France); Doudin, Bernard [Institut de Physique, Applique de Physique et Chimie des Materiaux de Strasbourg, Universite Louis Pasteur Strasbourg (France); Losovyj, Yaroslav B. [Institute for Functional Nanomaterials, University of Puerto Rico, San Juan (United States); J. Bennett Johnston Sr. Center for Advanced Microstructures and Devices, Louisiana State Univ., Baton Rouge, LA (United States); Dowben, Peter A. [Institute for Functional Nanomaterials, University of Puerto Rico, San Juan (United States)

2012-08-15

There is compelling evidence of electron pockets, at the Fermi level, in the band structure for an organic zwitterion molecule of the p-benzoquinonemonoimine type. The electronic structure of the zwitterion molecular film has a definite, although small, density of states evident at the Fermi level as well as a nonzero inner potential and thus is very different from a true insulator. In spite of a small Brillouin zone, significant band width is observed in the intermolecular band dispersion. The results demonstrate that Bloch's theorem applies to the wave vector dependence of the electronic band structure formed from the molecular orbitals of adjacent molecules in a molecular thin film of a p-benzoquinonemonoimine type zwitterion. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Design study of high gradient, low impedance accelerating structures for the FERMI free electron laser linac upgrade

Science.gov (United States)

Shafqat, N.; Di Mitri, S.; Serpico, C.; Nicastro, S.

2017-09-01

The FERMI free-electron laser (FEL) of Elettra Sincrotrone Trieste, Italy, is a user facility driven by a 1.5 GeV 10-50 Hz S-band radiofrequency linear accelerator (linac), and it is based on an external laser seeding scheme that allows lasing at the shortest fundamental wavelength of 4 nm. An increase of the beam energy to 1.8 GeV at a tolerable breakdown rate, and an improvement of the final beam quality is desired in order to allow either lasing at 4 nm with a higher flux, or lasing at shorter wavelengths. This article presents the impedance analysis of newly designed S-band accelerating structures, for replacement of the existing backward travelling wave structures (BTWS) in the last portion of the FERMI linac. The new structure design promises higher accelerating gradient and lower impedance than those of the existing BTWS. Particle tracking simulations show that, with the linac upgrade, the beam relative energy spread, its linear and nonlinear z-correlation internal to the bunch, and the beam transverse emittances can be made smaller than the ones in the present configuration, with expected advantage to the FEL performance. The repercussion of the upgrade on the linac quadrupole magnets setting, for a pre-determined electron beam optics, is also considered.

Electronic band structure study of colossal magnetoresistance in Tl 2Mn 2O 7

Science.gov (United States)

Seo, D.-K.; Whangbo, M.-H.; Subramanian, M. A.

1997-02-01

The electronic structure of Tl 2Mn 2O 7 was examined by performing tight binding band calculations. The overlap between the Mn t 2g- and Tl 6 s-block bands results in a partial filling of the Tl 6 s-block bands. The associated Fermi surface consists of 12 cigar-shape electron pockets with each electron pocket about {1}/{1000} of the first Brillouin zone in size. The Tl 6 s-block bands have orbital contributions from the Mn atoms, and the carrier density is very low. These are important for the occurrence of a colossal magnetoresistance in Tl 2Mn 2O 7.

Band structure and orbital character of monolayer MoS2 with eleven-band tight-binding model

Science.gov (United States)

Shahriari, Majid; Ghalambor Dezfuli, Abdolmohammad; Sabaeian, Mohammad

2018-02-01

In this paper, based on a tight-binding (TB) model, first we present the calculations of eigenvalues as band structure and then present the eigenvectors as probability amplitude for finding electron in atomic orbitals for monolayer MoS2 in the first Brillouin zone. In these calculations we are considering hopping processes between the nearest-neighbor Mo-S, the next nearest-neighbor in-plan Mo-Mo, and the next nearest-neighbor in-plan and out-of-plan S-S atoms in a three-atom based unit cell of two-dimensional rhombic MoS2. The hopping integrals have been solved in terms of Slater-Koster and crystal field parameters. These parameters are calculated by comparing TB model with the density function theory (DFT) in the high-symmetry k-points (i.e. the K- and Γ-points). In our TB model all the 4d Mo orbitals and the 3p S orbitals are considered and detailed analysis of the orbital character of each energy level at the main high-symmetry points of the Brillouin zone is described. In comparison with DFT calculations, our results of TB model show a very good agreement for bands near the Fermi level. However for other bands which are far from the Fermi level, some discrepancies between our TB model and DFT calculations are observed. Upon the accuracy of Slater-Koster and crystal field parameters, on the contrary of DFT, our model provide enough accuracy to calculate all allowed transitions between energy bands that are very crucial for investigating the linear and nonlinear optical properties of monolayer MoS2.

Reconstruction of Band Structure Induced by Electronic Nematicity in an FeSe Superconductor

Science.gov (United States)

Nakayama, K.; Miyata, Y.; Phan, G. N.; Sato, T.; Tanabe, Y.; Urata, T.; Tanigaki, K.; Takahashi, T.

2014-12-01

We have performed high-resolution angle-resolved photoemission spectroscopy on an FeSe superconductor (Tc˜8 K ), which exhibits a tetragonal-to-orthorhombic structural transition at Ts˜90 K . At low temperature, we found splitting of the energy bands as large as 50 meV at the M point in the Brillouin zone, likely caused by the formation of electronically driven nematic states. This band splitting persists up to T ˜110 K , slightly above Ts, suggesting that the structural transition is triggered by the electronic nematicity. We have also revealed that at low temperature the band splitting gives rise to a van Hove singularity within 5 meV of the Fermi energy. The present result strongly suggests that this unusual electronic state is responsible for the unconventional superconductivity in FeSe.

Electronic structure, Fermi surface topology and spectroscopic optical properties of LaBaCo{sub 2}O{sub 5.5} compound

Energy Technology Data Exchange (ETDEWEB)

Reshak, A.H. [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Al-Douri, Y. [Institute of Nano Electronic Engineering, University Malaysia Perlis, 01000 Kangar, Perlis (Malaysia); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Mascara 29000 (Algeria); Khan, Wilayat; Khan, Saleem Ayaz [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic); Azam, Sikander, E-mail: sikander.physicst@gmail.com [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic)

2014-08-01

We have investigated the electronic band structure, Fermi surface topology, chemical bonding and optical properties of LaBaCo{sub 2}O{sub 5.5} compound. The first-principle calculations based on density functional theory (DFT) by means of the full-potential linearized augmented plane-wave method were employed. The atomic positions of LaBaCo{sub 2}O{sub 5.5} compound were optimized by minimizing the forces acting on atoms. We employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engel–Vosko GGA (EVGGA) to treat the exchange correlation potential by solving Kohn–Sham equations. Electronic structure and bonding properties are studied throughout the calculation of densities of states, Fermi surfaces and charge densities. Furthermore, the optical properties are investigated via the calculation of the dielectric tensor component in order to characterize the linear optical properties. Optical spectra are analyzed by means of the electronic structure, which provides theoretical understanding of the conduction mechanism of the investigated compound. - Highlights: • DFT-FPLAPW method used for calculating the properties of LaBaCo{sub 2}O{sub 5.5} compound. • This study shows that nature of the compound is metallic. • Crystallographic plane which shows covalent character of O–Co bond. • The optical properties were also calculated and analyzed. • The Fermi surface of LaBaCo{sub 2}O{sub 5.5} is composed of five bands crossing along Γ–Z direction.

Electronic Band Structure of BaCo_{2}As_{2}: A Fully Doped Ferropnictide Analog with Reduced Electronic Correlations

Directory of Open Access Journals (Sweden)

N. Xu

2013-01-01

Full Text Available We report an investigation with angle-resolved photoemission spectroscopy of the Fermi surface and electronic band structure of BaCo_{2}As_{2}. Although its quasinesting-free Fermi surface differs drastically from that of its Fe-pnictide cousins, we show that the BaCo_{2}As_{2} system can be used as an approximation to the bare unoccupied band structure of the related BaFe_{2-x}Co_{x}As_{2} and Ba_{1-x}K_{x}Fe_{2}As_{2} compounds. However, our experimental results, in agreement with dynamical-mean-field-theory calculations, indicate that electronic correlations are much less important in BaCo_{2}As_{2} than in the ferropnictides. Our findings suggest that this effect is due to the increased filling of the electronic 3d shell in the presence of significant Hund’s exchange coupling.

Effect of structural distortion on the electronic band structure of NaOsO3 studied within density functional theory and a three-orbital model

Science.gov (United States)

Mohapatra, Shubhajyoti; Bhandari, Churna; Satpathy, Sashi; Singh, Avinash

2018-04-01

Effects of the structural distortion associated with the OsO6 octahedral rotation and tilting on the electronic band structure and magnetic anisotropy energy for the 5 d3 compound NaOsO3 are investigated using the density functional theory (DFT) and within a three-orbital model. Comparison of the essential features of the DFT band structures with the three-orbital model for both the undistorted and distorted structures provides insight into the orbital and directional asymmetry in the electron hopping terms resulting from the structural distortion. The orbital mixing terms obtained in the transformed hopping Hamiltonian resulting from the octahedral rotations are shown to account for the fine features in the DFT band structure. Staggered magnetization and the magnetic character of states near the Fermi energy indicate weak coupling behavior.

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

Science.gov (United States)

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.

The energy band structure of A{sub x}Fe{sub 2}Se{sub 2} (A = K, Rb) superconductors

Energy Technology Data Exchange (ETDEWEB)

Zabidi, Noriza A. [Physics Department, Centre for Defence Foundation Studies, Universiti Pertahanan Nasional Malaysia, Kuala Lumpur 59200 (Malaysia); Azhan, Muhd. Z. [Defence Science Department, Faculty of Defence Science and Technology, Universiti Pertahanan Nasional Malaysia, Kuala Lumpur 59200 (Malaysia); Rosli, A. N. [Faculty of Science and Technology, Universiti Sains Islam Malaysia, Nilai 71800, Negeri Sembilan (Malaysia); Shrivastava, Keshav N. [School of Physics, University of Hyderabad, Hyderabad 500046 (India)

2014-03-05

We study the band structure of antiferromagnetic A{sub x}Fe{sub 2}Se{sub 2} (A = K, Rb) superconductors by using first-principles electronic structure calculations which is density functional theory. In the vicinity of iron-vacancy, we identify the valence electrons of A{sub x}Fe{sub 2}Se{sub 2} will be filled up to the Fermi level and no semiconducting gap is observed. Hence, the A{sub x}Fe{sub 2}Se{sub 2} is a metallic instead of semiconducting which leads to superconductivity in the orbital-selective Mott phase. Similarly, there is non-vanishing density of states at the Fermi level.

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

Science.gov (United States)

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.

Crystal structure, electrical properties and electronic band structure of tantalum ditelluride

CERN Document Server

Vernes, A; Bensch, W; Heid, W; Naether, C

1998-01-01

Motivated by the unexpectedly strong influence of the Te atoms on the structural and bonding properties of the transition metal tellurides, we have performed a detailed study of TaTe sub 2. Experimentally, this comprises a crystal structure determination as well as electrical resistivity measurements. The former analysis leads to an accurate update of the structural data reported in the 1960s, while the latter provides evidence for the mainly electronic character of scattering processes leading to the electrical conductivity. In addition, the electronic properties of TaTe sub 2 have been calculated using the TB-LMTO method. The partial density of states reflects the close connection of the Ta zigzag chains and the Te-Te network. This finding explains the charge transfer in the system in a rather simple way. The orthogonal-orbital character of the bands proved the existence of pi-bonds. The Fermi-surface study supports the interpretation of the experimental resistivity measurements. (author)

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

Science.gov (United States)

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

1989-11-01

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

Electronic band structures and optical properties of type-II superlattice photodetectors with interfacial effect.

Science.gov (United States)

Qiao, Peng-Fei; Mou, Shin; Chuang, Shun Lien

2012-01-30

The electronic band structures and optical properties of type-II superlattice (T2SL) photodetectors in the mid-infrared (IR) range are investigated. We formulate a rigorous band structure model using the 8-band k · p method to include the conduction and valence band mixing. After solving the 8 × 8 Hamiltonian and deriving explicitly the new momentum matrix elements in terms of envelope functions, optical transition rates are obtained through the Fermi's golden rule under various doping and injection conditions. Optical measurements on T2SL photodetectors are compared with our model and show good agreement. Our modeling results of quantum structures connect directly to the device-level design and simulation. The predicted doping effect is readily applicable to the optimization of photodetectors. We further include interfacial (IF) layers to study the significance of their effect. Optical properties of T2SLs are expected to have a large tunable range by controlling the thickness and material composition of the IF layers. Our model provides an efficient tool for the designs of novel photodetectors.

First-principles study on band structures and electrical transports of doped-SnTe

Directory of Open Access Journals (Sweden)

Xiao Dong

2016-06-01

Full Text Available Tin telluride is a thermoelectric material that enables the conversion of thermal energy to electricity. SnTe demonstrates a great potential for large-scale applications due to its lead-free nature and the similar crystal structure to PbTe. In this paper, the effect of dopants (i.e., Mg, Ca, Sr, Ba, Eu, Yb, Zn, Cd, Hg, and In on the band structures and electrical transport properties of SnTe was investigated based on the first-principles density functional theory including spin–orbit coupling. The results show that Zn and Cd have a dominant effect of band convergence, leading to power factor enhancement. Indium induces obvious resonant states, while Hg-doped SnTe exhibits a different behavior with defect states locating slightly above the Fermi level.

Band structure of semiconductors

CERN Document Server

Tsidilkovski, I M

2013-01-01

Band Structure of Semiconductors provides a review of the theoretical and experimental methods of investigating band structure and an analysis of the results of the developments in this field. The book presents the problems, methods, and applications in the study of band structure. Topics on the computational methods of band structure; band structures of important semiconducting materials; behavior of an electron in a perturbed periodic field; effective masses and g-factors for the most commonly encountered band structures; and the treatment of cyclotron resonance, Shubnikov-de Haas oscillatio

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

Science.gov (United States)

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

2018-04-01

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

Fermi Surface Manipulation by External Magnetic Field Demonstrated for a Prototypical Ferromagnet

Directory of Open Access Journals (Sweden)

E. Młyńczak

2016-12-01

Full Text Available We consider the details of the near-surface electronic band structure of a prototypical ferromagnet, Fe(001. Using high-resolution angle-resolved photoemission spectroscopy, we demonstrate openings of the spin-orbit-induced electronic band gaps near the Fermi level. The band gaps, and thus the Fermi surface, can be manipulated by changing the remanent magnetization direction. The effect is of the order of ΔE=100  meV and Δk=0.1  Å^{−1}. We show that the observed dispersions are dominated by the bulk band structure. First-principles calculations and one-step photoemission calculations suggest that the effect is related to changes in the electronic ground state and not caused by the photoemission process itself. The symmetry of the effect indicates that the observed electronic bulk states are influenced by the presence of the surface, which might be understood as related to a Rashba-type effect. By pinpointing the regions in the electronic band structure where the switchable band gaps occur, we demonstrate the significance of spin-orbit interaction even for elements as light as 3d ferromagnets. These results set a new paradigm for the investigations of spin-orbit effects in the spintronic materials. The same methodology could be used in the bottom-up design of the devices based on the switching of spin-orbit gaps such as electric-field control of magnetic anisotropy or tunneling anisotropic magnetoresistance.

Electronic structure, Fermi surface and optical properties of metallic compound Be8(B48)B2

International Nuclear Information System (INIS)

Reshak, A.H.; Azam, Sikander; Alahmed, Z.A.; Chyský, Jan

2014-01-01

The band structure, density of states, electronic charge density, Fermi surface and optical properties for B 8 (Be 48 )B 2 compound has been investigated in the support of density functional theory (DFT). The atomic positions of B 8 (Be 48 )B 2 compound were optimized by minimization of the forces acting on the atoms using the full potential linear augmented plane wave (FPLAPW) method. We have employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engal-Vosko GGA (EVGGA) to indulgence the exchange correlation potential by solving Kohn–Sham equations. The result shows that the compound is metallic with sturdy hybridization near the Fermi energy level (E F ). The density of states at Fermi energy, N(E F ), is determined by the overlaping between B-p, B-s and Be-s states. This overlaping is strong enough indicating metallic origin with different values of N(E F ). These values are 16.4, 16.27 and 14.89 states/eV, and the corresponding bare linear low-temperature electronic specific heat coefficient (γ) is found to be 2.84, 2.82 and 2.58 mJ/mol K 2 for EVGGA, GGA and LDA respectively. There exists a strong hybridization between B-s and B-p states, also between B-s and Be-p states around the Fermi level. The Fermi surface is composed of three sheets. These sheets consist of set of holes and electrons. The bonding features of the compounds are analyzed using the electronic charge density in the (101 and −101) crystallographic planes and also the analyzing of charge density shows covalent bonding between B and B. The linear optical properties are also deliberated and discussed in particulars. - Highlights: • The compound is metallic. • The density of states at the Fermi energy is calculated. • The bare linear low-temperature electronic specific heat coefficient is obtained. • Fermi surface is composed of three sheets. • The bonding features are analyzed using the electronic charge density

On the Fermi surface of YBa2Cu3O7-δ

International Nuclear Information System (INIS)

Peter, M.; Manuel, A.A.; Hoffmann, L.; Sadowski, W.

1992-01-01

We show that the signature of a Fermi surface sheet of YBa 2 Cu 3 O 7-δ may be obtained unambiguously from twinned crystals. Comparison of electron-positron momentum density from YBa 2 Cu 3 O 7-δ measured both in insulating and (superconducting) twinned phases leads to a decisive further proof of the existence of the Fermi surface in the metallic YBa 2 Cu 3 O 7-δ . In addition, measurements on untwinned YBA 2 Cu 3 O 7-δ single crystals reveal also a ridge Fermi surface sheet attributed by band structure calculations to CuO chains. 14 refs., 3 figs

Band structure of Heusler compounds studied by photoemission and tunneling spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Arbelo Jorge, Elena

2011-07-01

Heusler compounds are key materials for spintronic applications. They have attracted a lot of interest due to their half-metallic properties predicted by band structure calculations. The aim of this work is to evaluate experimentally the validity of the predictions of half metallicity by band structure calculations for two specific Heusler compounds, Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa. Two different spectroscopy methods for the analysis of the electronic properties were used: Angular Resolved Ultraviolet Photoemission Spectroscopy (ARUPS) and Tunneling Spectroscopy. Heusler compounds are prepared as thin films by RF-sputtering in an ultra high vacuum system. For the characterization of the samples, bulk and surface crystallographic and magnetic properties of Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa are studied. X-ray and electron diffraction reveal a bulk and surface crossover between two different types of sublattice order (from B2 to L2{sub 1}) with increasing annealing temperature. X-ray magnetic circular dichroism results show that the magnetic properties in the surface and bulk are identical, although the magnetic moments obtained are 5 % below from the theoretically predicted. By ARUPS evidence for the validity of the predicted total bulk density of states (DOS) was demonstrated for both Heusler compounds. Additional ARUPS intensity contributions close to the Fermi energy indicates the presence of a specific surface DOS. Moreover, it is demonstrated that the crystallographic order, controlled by annealing, plays an important role on broadening effects of DOS features. Improving order resulted in better defined ARUPS features. Tunneling magnetoresistance measurements of Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa based MTJ's result in a Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} spin polarization of 44 %, which is the highest experimentally obtained value for this compound, although it is lower than the 100 % predicted. For Co

A microscope for Fermi gases

International Nuclear Information System (INIS)

Omran, Ahmed

2016-01-01

This thesis reports on a novel quantum gas microscope to investigate many-body systems of fermionic atoms in optical lattices. Single-site resolved imaging of ultracold lattice gases has enabled powerful studies of bosonic quantum many-body systems. The extension of this capability to Fermi gases offers new prospects to studying complex phenomena of strongly correlated systems, for which numerical simulations are often out of reach. Using standard techniques of laser cooling, optical trapping, and evaporative cooling, ultracold Fermi gases of 6 Li are prepared and loaded into a large-scale 2D optical lattice of flexible geometry. The atomic distribution is frozen using a second, short-scaled lattice, where we perform Raman sideband cooling to induce fluorescence on each atom while maintaining its position. Together with high-resolution imaging, the fluorescence signals allow for reconstructing the initial atom distribution with single-site sensitivity and high fidelity. Magnetically driven evaporative cooling in the plane allows for producing degenerate Fermi gases with almost unity filling in the initial lattice, allowing for the first microscopic studies of ultracold gases with clear signatures of Fermi statistics. By preparing an ensemble of spin-polarised Fermi gases, we detect a flattening of the density profile towards the centre of the cloud, which is a characteristic of a band-insulating state. In one set of experiments, we demonstrate that losses of atom pairs on a single lattice site due to light-assisted collisions are circumvented. The oversampling of the second lattice allows for deterministic separation of the atom pairs into different sites. Compressing a high-density sample in a trap before loading into the lattice leads to many double occupancies of atoms populating different bands, which we can image with no evidence for pairwise losses. We therefore gain direct access to the true number statistics on each lattice site. Using this feature, we can

Momentum density and Fermi surface of Nd2-xCexCuO4-δ

International Nuclear Information System (INIS)

Shukla, A.; Barbiellini, B.; Hoffmann, L.; Manuel, A.A.; Sadowski, W.; Walker, E.; Peter, M.

1996-01-01

High-temperature positron two-dimensional angular correlation of annihilation radiation (2D-ACAR) measurements have recently been succesfully applied to map parts of the Fermi surface of YBa 2 Cu 3 O 7-δ . Using the same principle, we have been able to observe with a bulk sensitive method, the Fermi surface of Nd 2-x Ce x CuO 4-δ . Although positron trapping by defects and correlation effects are strong, positron 2D-ACAR measurements provide a signal from the Fermi surface which agrees with band-structure calculations, confirming earlier surface sensitive photoemission experiments. copyright 1996 The American Physical Society

Theoretical band structure of the superconducting antiperovskite oxide Sr3-xSnO

Science.gov (United States)

Ikeda, Atsutoshi; Fukumoto, Toshiyuki; Oudah, Mohamed; Hausmann, Jan Niklas; Yonezawa, Shingo; Kobayashi, Shingo; Sato, Masatoshi; Tassel, Cédric; Takeiri, Fumitaka; Takatsu, Hiroshi; Kageyama, Hiroshi; Maeno, Yoshiteru

2018-05-01

In order to investigate the position of the strontium deficiency in superconductive Sr3-xSnO, we synthesized and measured X-ray-diffraction patterns of Sr3-xSnO (x ∼ 0.5). Because no clear peaks originating from superstructures were observed, strontium deficiency is most likely to be randomly distributed. We also performed first-principles band-structure calculations on Sr3-xSnO (x = 0, 0.5) using two methods: full-potential linearized-augmented plane-wave plus local orbitals method and the Korringa-Kohn-Rostoker Green function method combined with the coherent potential approximation. We revealed that the Fermi energy of Sr3-xSnO in case of x ∼ 0.5 is about 0.8 eV below the original Fermi energy of the stoichiometric Sr3SnO, where the mixing of the valence p and conduction d orbitals are considered to be small.

Hidden Fermi liquid, scattering rate saturation, and Nernst effect: a dynamical mean-field theory perspective.

Science.gov (United States)

Xu, Wenhu; Haule, Kristjan; Kotliar, Gabriel

2013-07-19

We investigate the transport properties of a correlated metal within dynamical mean-field theory. Canonical Fermi liquid behavior emerges only below a very low temperature scale T(FL). Surprisingly the quasiparticle scattering rate follows a quadratic temperature dependence up to much higher temperatures and crosses over to saturated behavior around a temperature scale T(sat). We identify these quasiparticles as constituents of the hidden Fermi liquid. The non-Fermi-liquid transport above T(FL), in particular the linear-in-T resistivity, is shown to be a result of a strongly temperature dependent band dispersion. We derive simple expressions for the resistivity, Hall angle, thermoelectric power and Nernst coefficient in terms of a temperature dependent renormalized band structure and the quasiparticle scattering rate. We discuss possible tests of the dynamical mean-field theory picture of transport using ac measurements.

Electronic band structure and optical properties of the cubic, Sc, Y and La hydride systems

International Nuclear Information System (INIS)

Peterman, D.J.

1980-01-01

Electronic band structure calculations are used to interpret the optical spectra of the cubic Sc, Y and La hydride systems. Self-consistent band calculations of ScH 2 and YH 2 were carried out. The respective joint densities of states are computed and compared to the dielectric functions determined from the optical measurements. Additional calculations were performed in which the Fermi level or band gap energies are rigidly shifted by a small energy increment. These calculations are then used to simulate the derivative structure in thermomodulation spectra and relate the origin of experimental interband features to the calculated energy bands. While good systematic agreement is obtained for several spectral features, the origin of low-energy interband transitions in YH 2 cannot be explained by these calculated bands. A lattice-size-dependent premature occupation of octahedral sites by hydrogen atoms in the fcc metal lattice is suggested to account for this discrepancy. Various non-self-consistent calculations are used to examine the effect of such a premature occupation. Measurements of the optical absorptivity of LaH/sub x/ with 1.6 2 lattice. These experimental results also suggest that, in contrast to recent calculations, LaH 3 is a small-band-gap semiconductor

Low-bias flat band-stop filter based on velocity modulated gaussian graphene superlattice

Science.gov (United States)

Sattari-Esfahlan, S. M.; Shojaei, S.

2018-05-01

Transport properties of biased planar Gaussian graphene superlattice (PGGSL) with Fermi velocity barrier is investigated by transfer matrix method (TMM). It is observed that enlargement of bias voltage over miniband width breaks the miniband to WSLs leads to suppressing resonant tunneling. Transmission spectrum shows flat wide stop-band property controllable by external bias voltage with stop-band width of near 200 meV. The simulations demonstrate that strong velocity barriers prevent tunneling of Dirac electrons leading to controllable enhancement of stop-band width. By increasing ratio of Fermi velocity in barriers to wells υc stop-band width increase. As wide transmission stop-band width (BWT) of filter is tunable from 40 meV to 340 meV is obtained by enhancing ratio of υc from 0.2 to 1.5, respectively. Proposed structure suggests easy tunable wide band-stop electronic filter with a modulated flat stop-band characteristic by height of electrostatic barrier and structural parameters. Robust sensitivity of band width to velocity barrier intensity in certain bias voltages and flat band feature of proposed filter may be opens novel venue in GSL based flat band low noise filters and velocity modulation devices.

Calculated Fermi surface properties of LaSn3 and YSn3 under pressure

International Nuclear Information System (INIS)

Kanchana, V.

2012-01-01

The electronic structure, Fermi surface and elastic properties of the iso-structural and iso-electronic LaSn 3 and YSn 3 intermetallic compounds are studied under pressure within the frame work of density functional theory including spin-orbit coupling. The LaSn 3 Fermi surface consists of two sheets, of which the second is very complex. Under pressure a third sheet appears around compression V/V 0 =0.94, while a small topology changes in the second sheet is seen at compression V/V 0 =0.90. This may be in accordance with the anomalous behavior in the superconducting transition temperature observed in LaSn 3 , which has been suggested to reflect a Fermi surface topological transition, along with a non-monotonic pressure dependence of the density of states at the Fermi level. The similar behavior is not observed in YSn 3 for which the Fermi surface includes three sheets already at ambient conditions, and the topology remains unchanged under pressure. The reason for the difference in behavior between LaSn 3 and YSn 3 is the role of spin-orbit coupling and the hybridization of La-4f state with the Sn-p state in the vicinity of the Fermi level, which is well explained using the band structure calculation. The elastic constants and related mechanical properties are calculated at ambient as well as at elevated pressures. The elastic constants increase with pressure for both compounds and satisfy the conditions for mechanical stability under pressure. (author)

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

Energy Technology Data Exchange (ETDEWEB)

Dwivedi, G. D.; Chou, H.; Yang, K. S.; Jhong, D. J.; Chan, W. L. [Department of Physics, National Sun Yat-sen University, Kaohsiung 80424, Taiwan (China); Joshi, Amish G. [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Road, New Delhi 110012 (India); Kumar, Shiv; Ghosh, A. K. [Department of Physics, Banaras Hindu University, Varanasi 221005 (India); Chatterjee, Sandip, E-mail: schatterji.app@iitbhu.ac.in [Department of Physics, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India)

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 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.

Efficient evaluation of epitaxial MoS2 on sapphire by direct band structure imaging

Science.gov (United States)

Kim, Hokwon; Dumcenco, Dumitru; Fregnaux, Mathieu; Benayad, Anass; Kung, Yen-Cheng; Kis, Andras; Renault, Olivier; Lanes Group, Epfl Team; Leti, Cea Team

The electronic band structure evaluation of two-dimensional metal dichalcogenides is critical as the band structure can be greatly influenced by the film thickness, strain, and substrate. Here, we performed a direct measurement of the band structure of as-grown monolayer MoS2 on single crystalline sapphire by reciprocal-space photoelectron emission microscopy with a conventional laboratory ultra-violet He I light source. Arrays of gold electrodes were deposited onto the sample in order to avoid charging effects due to the insulating substrate. This allowed the high resolution mapping (ΔE = 0.2 eV Δk = 0.05 Å-1) of the valence states in momentum space down to 7 eV below the Fermi level. The high degree of the epitaxial alignment of the single crystalline MoS2 nuclei was verified by the direct momentum space imaging over a large area containing multiple nuclei. The derived values of the hole effective mass were 2.41 +/-0.05 m0 and 0.81 +/-0.05 m0, respectively at Γ and K points, consistent with the theoretical values of the freestanding monolayer MoS2 reported in the literature. HK acknowledges the french CEA Basic Technological Research program (RTB) for funding.

Observation of a hidden hole-like band approaching the fermi level in K-doped iron selenide superconductor

International Nuclear Information System (INIS)

Sunagawa, Masanori; Terashima, Kensei; Hamada, Takahiro

2016-01-01

One of the ultimate goals of the study of iron-based superconductors is to identify the common feature that produces the high critical temperature (T c ). In the early days, based on a weak-coupling viewpoint, the nesting between hole- and electron-like Fermi surfaces (FSs) leading to the so-called s± state was considered to be one such key feature. However, this theory has faced a serious challenge ever since the discovery of alkali-metal-doped FeSe (AFS) superconductors, in which only electron-like FSs with a nodeless superconducting gap are observed. Several theories have been proposed, but a consistent understanding is yet to be achieved. Here we show experimentally that a hole-like band exists in K x Fe 2-y Se 2 , which presumably forms a hole-like Fermi surface. The present study suggests that AFS can be categorized in the same group as iron arsenides with both hole- and electron-like FSs present. This result provides a foundation for a comprehensive understanding of the superconductivity in iron-based superconductors. (author)

Evolution with Composition of the d-Band Density of States at the Fermi Level in Highly Spin Polarized Co1-xFexS2

Science.gov (United States)

Kuhns, P. L.; Hoch, M. J. R.; Reyes, A. P.; Moulton, W. G.; Wang, L.; Leighton, C.

2006-04-01

Highly spin polarized (SP) and half-metallic ferromagnetic systems are of considerable current interest and of potential importance for spintronic applications. Recent work has demonstrated that Co1-xFexS2 is a highly polarized ferromagnet (FM) where the spin polarization can be tuned by alloy composition. Using Co59 FM-NMR as a probe, we have measured the low-temperature spin relaxation in this system in magnetic fields from 0 to 1.0 T for 0≤x≤0.3. The Co59 spin-lattice relaxation rates follow a linear T dependence. Analysis of the data, using expressions for a FM system, permits information to be obtained on the d-band density of states at the Fermi level. The results are compared with independent density of states values inferred from electronic specific heat measurements and band structure calculations. It is shown that FM-NMR can be an important method for investigating highly SP systems.

Transference of Fermi Contour Anisotropy to Composite Fermions.

Science.gov (United States)

Jo, Insun; Rosales, K A Villegas; Mueed, M A; Pfeiffer, L N; West, K W; Baldwin, K W; Winkler, R; Padmanabhan, Medini; Shayegan, M

2017-07-07

There has been a surge of recent interest in the role of anisotropy in interaction-induced phenomena in two-dimensional (2D) charged carrier systems. A fundamental question is how an anisotropy in the energy-band structure of the carriers at zero magnetic field affects the properties of the interacting particles at high fields, in particular of the composite fermions (CFs) and the fractional quantum Hall states (FQHSs). We demonstrate here tunable anisotropy for holes and hole-flux CFs confined to GaAs quantum wells, via applying in situ in-plane strain and measuring their Fermi wave vector anisotropy through commensurability oscillations. For strains on the order of 10^{-4} we observe significant deformations of the shapes of the Fermi contours for both holes and CFs. The measured Fermi contour anisotropy for CFs at high magnetic field (α_{CF}) is less than the anisotropy of their low-field hole (fermion) counterparts (α_{F}), and closely follows the relation α_{CF}=sqrt[α_{F}]. The energy gap measured for the ν=2/3 FQHS, on the other hand, is nearly unaffected by the Fermi contour anisotropy up to α_{F}∼3.3, the highest anisotropy achieved in our experiments.

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

Science.gov (United States)

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.

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

Science.gov (United States)

Mandal, Ipsita; Nandkishore, Rahul M.

2018-03-01

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

Fermi Surfaces in the Antiferromagnetic, Paramagnetic and Polarized Paramagnetic States of CeRh2Si2 Compared with Quantum Oscillation Experiments

Science.gov (United States)

Pourret, Alexandre; Suzuki, Michi-To; Palaccio Morales, Alexandra; Seyfarth, Gabriel; Knebel, Georg; Aoki, Dai; Flouquet, Jacques

2017-08-01

The large quantum oscillations observed in the thermoelectric power in the antiferromagnetic (AF) state of the heavy-fermion compound CeRh2Si2 disappear suddenly when entering in the polarized paramagnetic (PPM) state at Hc ˜ 26.5 T, indicating an abrupt reconstruction of the Fermi surface. The electronic band structure was calculated using [LDA+U] for the AF state taking the correct magnetic structure into account, for the PPM state, and for the paramagnetic state (PM). Different Fermi surfaces were obtained for the AF, PM, and PPM states. Due to band folding, a large number of branches was expected and observed in the AF state. The LDA+U calculation was compared with the previous LDA calculations. Furthermore, we compared both calculations with previously published de Haas-van Alphen experiments. The better agreement with the LDA approach suggests that above the critical pressure pc CeRh2Si2 enters in a mixed-valence state. In the PPM state under a high magnetic field, the 4f contribution at the Fermi level EF drops significantly compared with that in the PM state, and the 4f electrons contribute only weakly to the Fermi surface in our approach.

Nanoscale measurements of unoccupied band dispersion in few-layer graphene.

Science.gov (United States)

Jobst, Johannes; Kautz, Jaap; Geelen, Daniël; Tromp, Rudolf M; van der Molen, Sense Jan

2015-11-26

The properties of any material are fundamentally determined by its electronic band structure. Each band represents a series of allowed states inside a material, relating electron energy and momentum. The occupied bands, that is, the filled electron states below the Fermi level, can be routinely measured. However, it is remarkably difficult to characterize the empty part of the band structure experimentally. Here, we present direct measurements of unoccupied bands of monolayer, bilayer and trilayer graphene. To obtain these, we introduce a technique based on low-energy electron microscopy. It relies on the dependence of the electron reflectivity on incidence angle and energy and has a spatial resolution ∼10 nm. The method can be easily applied to other nanomaterials such as van der Waals structures that are available in small crystals only.

Angle-resolved photoemission spectroscopy of band tails in lightly doped cuprates

OpenAIRE

Alexandrov, A. S.; Reynolds, K.

2007-01-01

We amend ab initio strongly-correlated band structures by taking into account the band-tailing phenomenon in doped charge-transfer Mott-Hubbard insulators. We show that the photoemission from band tails accounts for sharp "quasi-particle" peaks, rapid loss of their intensities in some directions of the Brillouin zone ("Fermi-arcs") and high-energy "waterfall" anomalies as a consequence of matrix-element effects of disorder-localised states in the charge-transfer gap of doped cuprates.

First principle study of structural, electronic and fermi surface properties of aluminum praseodymium

Science.gov (United States)

Shugani, Mani; Aynyas, Mahendra; Sanyal, S. P.

2018-05-01

We present a structural, Electronic and Fermi surface properties of Aluminum Praseodymium (AlPr) using First-principles density functional calculation by using full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation (GGA). The ground state properties along with electronic and Fermi surface properties are studied. It is found that AlPr is metallic and the bonding between Al and Pr is covalent.

Calculation of the band structure of 2d conducting polymers using the network model

International Nuclear Information System (INIS)

Sabra, M. K.; Suman, H.

2007-01-01

the network model has been used to calculate the band structure the gap energy and Fermi level of conducting polymers in two dimensions. For this purpose, a geometrical classification of possible polymer chains configurations in two dimensions has been introduced leading to a classification of the unit cells based on the number of bonds in them. The model has been applied to graphite in 2D, represented by a three bonds unit cell, and, as a new case, the anti-parallel Polyacetylene chains (PA) in two dimensions, represented by a unit cell with four bons. The results are in good agreement with the first principles calculations. (author)

Electronic structure of superconducting Bi2212 crystal by angle resolved ultra violet photoemission

International Nuclear Information System (INIS)

Saini, N.L.; Shrivastava, P.; Garg, K.B.

1993-01-01

The electronic structure of a high quality superconducting Bi 2 Sr 2 CaCu 2 Osub(8+δ) (Bi2212) single crystal is studied by angle resolved ultra violet photoemission (ARUPS) using He I (21.2 eV). Our results appear to show two bands crossing the Fermi level in ΓX direction of the Brillouin zone as reported by Takahashi et al. The bands at higher binding energy do not show any appreciable dispersion. The nature of the states near the Fermi level is discussed and the observed band structure is compared with the band structure calculations. (author)

Fermi Surface with Dirac Fermions in CaFeAsF Determined via Quantum Oscillation Measurements

Science.gov (United States)

Terashima, Taichi; Hirose, Hishiro T.; Graf, David; Ma, Yonghui; Mu, Gang; Hu, Tao; Suzuki, Katsuhiro; Uji, Shinya; Ikeda, Hiroaki

2018-02-01

Despite the fact that 1111-type iron arsenides hold the record transition temperature of iron-based superconductors, their electronic structures have not been studied much because of the lack of high-quality single crystals. In this study, we comprehensively determine the Fermi surface in the antiferromagnetic state of CaFeAsF, a 1111 iron-arsenide parent compound, by performing quantum oscillation measurements and band-structure calculations. The determined Fermi surface consists of a symmetry-related pair of Dirac electron cylinders and a normal hole cylinder. From analyses of quantum-oscillation phases, we demonstrate that the electron cylinders carry a nontrivial Berry phase π . The carrier density is of the order of 10-3 per Fe. This unusual metallic state with the extremely small carrier density is a consequence of the previously discussed topological feature of the band structure which prevents the antiferromagnetic gap from being a full gap. We also report a nearly linear-in-B magnetoresistance and an anomalous resistivity increase above about 30 T for B ∥c , the latter of which is likely related to the quantum limit of the electron orbit. Intriguingly, the electrical resistivity exhibits a nonmetallic temperature dependence in the paramagnetic tetragonal phase (T >118 K ), which may suggest an incoherent state. Our study provides a detailed knowledge of the Fermi surface in the antiferromagnetic state of 1111 parent compounds and moreover opens up a new possibility to explore Dirac-fermion physics in those compounds.

Fermi Surface with Dirac Fermions in CaFeAsF Determined via Quantum Oscillation Measurements

Directory of Open Access Journals (Sweden)

Taichi Terashima

2018-02-01

Full Text Available Despite the fact that 1111-type iron arsenides hold the record transition temperature of iron-based superconductors, their electronic structures have not been studied much because of the lack of high-quality single crystals. In this study, we comprehensively determine the Fermi surface in the antiferromagnetic state of CaFeAsF, a 1111 iron-arsenide parent compound, by performing quantum oscillation measurements and band-structure calculations. The determined Fermi surface consists of a symmetry-related pair of Dirac electron cylinders and a normal hole cylinder. From analyses of quantum-oscillation phases, we demonstrate that the electron cylinders carry a nontrivial Berry phase π. The carrier density is of the order of 10^{-3} per Fe. This unusual metallic state with the extremely small carrier density is a consequence of the previously discussed topological feature of the band structure which prevents the antiferromagnetic gap from being a full gap. We also report a nearly linear-in-B magnetoresistance and an anomalous resistivity increase above about 30 T for B∥c, the latter of which is likely related to the quantum limit of the electron orbit. Intriguingly, the electrical resistivity exhibits a nonmetallic temperature dependence in the paramagnetic tetragonal phase (T>118  K, which may suggest an incoherent state. Our study provides a detailed knowledge of the Fermi surface in the antiferromagnetic state of 1111 parent compounds and moreover opens up a new possibility to explore Dirac-fermion physics in those compounds.

Effect of Cleaving Temperature on the Surface and Bulk Fermi Surface of Sr2RuO4 Investigated by High Resolution Angle-Resolved Photoemission

International Nuclear Information System (INIS)

Liu Shan-Yu; Zhang Wen-Tao; Weng Hong-Ming; Zhao Lin; Liu Hai-Yun; Jia Xiao-Wen; Liu Guo-Dong; Dong Xiao-Li; Zhang Jun; Dai Xi; Fang Zhong; Zhou Xing-Jiang; Mao Zhi-Qiang; Chen Chuang-Tian; Xu Zu-Yan

2012-01-01

High resolution angle-resolved photoemission measurements are carried out to systematically investigate the effect of cleaving temperature on the electronic structures and Fermi surfaces of Sr 2 RuO 4 . Unlike previous reports, which found that a high cleaving temperature can suppress the surface Fermi surface, we find that the surface Fermi surface remains obvious and strong in Sr 2 RuO 4 cleaved at high temperature, even at room temperature. This indicates that cleaving temperature is not a key effective factor in suppressing surface bands. On the other hand, the bulk bands can be enhanced in an aged surface of Sr 2 RuO 4 that has been cleaved and held for a long time. We have also carried out laser ARPES measurements on Sr 2 RuO 4 by using a vacuum ultra-violet laser (photon energy at 6.994 eV) and found an obvious enhancement of bulk bands even for samples cleaved at low temperature. This information is important for realizing an effective approach to manipulating and detecting the surface and bulk electronic structure of Sr 2 RuO 4 . In particular, the enhancement of bulk sensitivity, along with the super-high instrumental resolution of VUV laser ARPES, will be advantageous in investigating fine electronic structure and superconducting properties of Sr 2 RuO 4 in the future. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Valence band electronic structure of Ho-doped La0.67Ca0.33MnO3 using ultra-violet photoemission spectroscopy

Science.gov (United States)

Rout, S. K.; Mukharjee, R. N.; Mishra, D. K.; Roul, B. K.; Sekhar, B. R.; Dalai, M. K.

2017-05-01

In this manuscript we report the valence band electronic structure of Ho doped La0.67Ca0.33MnO3 using ultraviolet photoemission spectroscopy. We compared the density of states of La0.67Ca0.33MnO3, La0.67Ca0.3Ho0.03MnO3 and La0.64Ho0.03Ca0.33MnO3 near the Fermi level at various temperatures. Significant amount of changes have been observed at higher temperatures (220 K and 300 K) where the near Fermi level density of states increases with Ho doping into La0.67Ca0.33MnO3 indicating the enhancement of magnitude of change in metallicity (conductivity).

Bulk and surface band structure of the new family of semiconductors BiTeX (X=I, Br, Cl)

International Nuclear Information System (INIS)

Moreschini, L.; Autès, G.; Crepaldi, A.; Moser, S.; Johannsen, J.C.; Kim, K.S.; Berger, H.; Bugnon, Ph.; Magrez, A.; Denlinger, J.; Rotenberg, E.; Bostwick, A.; Yazyev, O.V.

2015-01-01

Highlights: • We provide an ARPES comparison between the three tellurohalides BiTeX (X = I, Br, Cl). • They present a similar band structure with namely spin-split bulk and surface states. • They offer, except for BiTeCl, the possibility of ambipolar conduction. • They can be easily doped. • From the data appeared so far, BiTeBr may be the most appealing for applications. - Abstract: We present an overview of the new family of semiconductors BiTeX (X = I, Br, Cl) from the perspective of angle resolved photoemission spectroscopy. The strong band bending occurring at the surface potentially endows them with a large flexibility, as they are capable of hosting both hole and electron conduction, and can be modified by inclusion or adsorption of foreign atoms. In addition, their trigonal crystal structure lacks a center of symmetry and allows for both bulk and surface spin-split bands at the Fermi level. We elucidate analogies and differences among the three materials, also in the light of recent theoretical and experimental work

Fermi surface properties of paramagnetic NpCd11 with a large unit cell

Science.gov (United States)

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

2010-03-01

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

Interface termination and band alignment of epitaxially grown alumina films on Cu-Al alloy

Science.gov (United States)

Yoshitake, Michiko; Song, Weijie; Libra, Jiří; Mašek, Karel; Šutara, František; Matolín, Vladimír; Prince, Kevin C.

2008-02-01

Epitaxial ultrathin alumina films were grown on a Cu-9 at. % Al(111) substrate by selective oxidation of Al in the alloy in ultrahigh vacuum. The photoelectron spectra of Al 2p and valence band were measured in situ during oxidation. By analyzing multiple peaks of Al 2p, the interface atomic structure was discussed. The energy difference between the Fermi level of the substrate and the valence band maximum of alumina (band offset) was obtained. The relation between the interface atomic structure and the band offset was compared with the reported first-principles calculations. A novel method for controlling the band offset was proposed.

Multi-Band Spectral Properties of Fermi Blazars Benzhong Dai ...

Indian Academy of Sciences (India)

... FSRQs, 41 AGNs of other types and 72 AGNs of unknown type (Abdo et al. 2010a). This large sample enable us to investigate the spectral shapes of blazars from optical to X-ray to γ-ray in more detail than has been done before. For this purpose, we collected data for all Fermi blazars having available spectral information.

Towards a complete Fermi surface in underdoped high Tc superconductors

Science.gov (United States)

Harrison, Neil

The discovery of magnetic quantum oscillations in underdoped high Tc superconductors raised many questions, and initiated a quest to understand the origin of the Fermi surface the like of which had not been seen since the very first discovery of quantum oscillations in elemental bismuth. While studies of the Fermi surface of materials are today mostly assisted by computer codes for calculating the electronic band structure, this was not the case in the underdoped high Tc materials. The Fermi surface was shown to reconstructed into small pockets, yet there was no hint of a viable order parameter. Crucial clues to understanding the origin of the Fermi surface were provided by the small value of the observed Fermi surface cross-section, the negative Hall coefficient and the small electronic heat capacity at high magnetic fields. We also know that the magnetic fields were likely to be too weak to destroy the pseudogap and that vortex pinning effects could be seen to persist to high magnetic fields at low temperatures. I will show that the Fermi surface that appears to fit best with the experimental observations is a small electron pocket formed by connecting the nodal `Fermi arcs' seen in photoemission experiments, corresponding to a density-wave state with two different orthogonal ordering vectors. The existence of such order has subsequently been detected by x-ray scattering experiments, thereby strengthening the case for charge ordering being responsible for reconstructing the Fermi surface. I will discuss new efforts to understand the relationship between the charge ordering and the pseudogap state, discussing the fate of the quasiparticles in the antinodal region and the dimensionality of the Fermi surface. The author acknowledges contributions from Suchitra Sebastian, Brad Ramshaw, Mun Chan, Yu-Te Hsu, Mate Hartstein, Gil Lonzarich, Beng Tan, Arkady Shekhter, Fedor Balakirev, Ross McDonald, Jon Betts, Moaz Altarawneh, Zengwei Zhu, Chuck Mielke, James Day, Doug

Direct imaging of band profile in single layer MoS2 on graphite: quasiparticle energy gap, metallic edge states, and edge band bending.

Science.gov (United States)

Zhang, Chendong; Johnson, Amber; Hsu, Chang-Lung; Li, Lain-Jong; Shih, Chih-Kang

2014-05-14

Using scanning tunneling microscopy and spectroscopy, we probe the electronic structures of single layer MoS2 on graphite. The apparent quasiparticle energy gap of single layer MoS2 is measured to be 2.15 ± 0.06 eV at 77 K, albeit a higher second conduction band threshold at 0.2 eV above the apparent conduction band minimum is also observed. Combining it with photoluminescence studies, we deduce an exciton binding energy of 0.22 ± 0.1 eV (or 0.42 eV if the second threshold is use), a value that is lower than current theoretical predictions. Consistent with theoretical predictions, we directly observe metallic edge states of single layer MoS2. In the bulk region of MoS2, the Fermi level is located at 1.8 eV above the valence band maximum, possibly due to the formation of a graphite/MoS2 heterojunction. At the edge, however, we observe an upward band bending of 0.6 eV within a short depletion length of about 5 nm, analogous to the phenomena of Fermi level pinning of a 3D semiconductor by metallic surface states.

Spin splitting in band structures of BiTeX (X=Cl, Br, I) monolayers

Science.gov (United States)

Hvazdouski, D. C.; Baranava, M. S.; Stempitsky, V. R.

2018-04-01

In systems with breaking of inversion symmetry a perpendicular electric field arises that interacts with the conduction electrons. It may give rise to electron state splitting even without influence of external magnetic field due to the spin-orbital interaction (SOI). Such a removal of the spin degeneracy is called the Rashba effect. Nanostructure with the Rashba effect can be part of a spin transistor. Spin degeneracy can be realized in a channel from a material of this type without additive of magnetic ions. Lack of additive increases the charge carrier mobility and reliability of the device. Ab initio simulations of BiTeX (X=Cl, Br, I) monolayers have been carried out using VASP wherein implemented DFT method. The study of this structures is of interest because such sort of structures can be used their as spin-orbitronics materials. The crystal parameters of BiTeCl, BiTeBr, BiTeI have been determined by the ionic relaxation and static calculations. It is necessary to note that splitting of energy bands occurs in case of SOI included. The values of the Rashba coefficient aR (in the range from 6.25 to 10.00 eV·Å) have high magnitudes for spintronics materials. Band structure of monolayers structures have ideal Rashba electron gas, i.e. there no other energy states near to Fermi level except Rashba states.

Dispersive Sachdev-Ye-Kitaev model: Band structure and quantum chaos

Science.gov (United States)

Zhang, Pengfei

2017-11-01

The Sachdev-Ye-Kitaev (SYK) model is a concrete model for a non-Fermi liquid with maximally chaotic behavior in (0 +1 ) dimensions. In order to gain some insights into real materials in higher dimensions where fermions could hop between different sites, here we consider coupling a SYK lattice by constant hopping. We call this the dispersive SYK model. Focusing on (1 +1 ) -dimensional homogeneous hopping, by either tuning the temperature or the relative strength of the random interaction (hopping) and constant hopping, we find a crossover between a dispersive metal to an incoherent metal, where the dynamic exponent z changes from 1 to ∞ . We study the crossover by calculating the spectral function, charge density correlator, and the Lyapunov exponent. We further find the Lyapunov exponent becomes larger when the chemical potential is tuned to approach a van Hove singularity because of the large density of states near the Fermi surface. The effect of the topological nontrivial bands is also discussed.

Degenerate Fermi gas in a combined harmonic-lattice potential

International Nuclear Information System (INIS)

Blakie, P. B.; Bezett, A.; Buonsante, P.

2007-01-01

In this paper we derive an analytic approximation to the density of states for atoms in a combined optical lattice and harmonic trap potential as used in current experiments with quantum degenerate gases. We compare this analytic density of states to numerical solutions and demonstrate its validity regime. Our work explicitly considers the role of higher bands and when they are important in quantitative analysis of this system. Applying our density of states to a degenerate Fermi gas, we consider how adiabatic loading from a harmonic trap into the combined harmonic-lattice potential affects the degeneracy temperature. Our results suggest that occupation of excited bands during loading should lead to more favorable conditions for realizing degenerate Fermi gases in optical lattices

Fermi liquid, clustering, and structure factor in dilute warm nuclear matter

Science.gov (United States)

Röpke, G.; Voskresensky, D. N.; Kryukov, I. A.; Blaschke, D.

2018-02-01

Properties of nuclear systems at subsaturation densities can be obtained from different approaches. We demonstrate the use of the density autocorrelation function which is related to the isothermal compressibility and, after integration, to the equation of state. This way we connect the Landau Fermi liquid theory well elaborated in nuclear physics with the approaches to dilute nuclear matter describing cluster formation. A quantum statistical approach is presented, based on the cluster decomposition of the polarization function. The fundamental quantity to be calculated is the dynamic structure factor. Comparing with the Landau Fermi liquid theory which is reproduced in lowest approximation, the account of bound state formation and continuum correlations gives the correct low-density result as described by the second virial coefficient and by the mass action law (nuclear statistical equilibrium). Going to higher densities, the inclusion of medium effects is more involved compared with other quantum statistical approaches, but the relation to the Landau Fermi liquid theory gives a promising approach to describe not only thermodynamic but also collective excitations and non-equilibrium properties of nuclear systems in a wide region of the phase diagram.

Unidentified EGRET sources and their possible Fermi counterparts

International Nuclear Information System (INIS)

Lyapin, A R; Arkhangelskaja, I V; Larin, D S

2017-01-01

Unidentified EGRET sources from 3EG catalog have been analyzed. Preliminary data analysis has shown at least 23 of these sources coincide with those in 3FGL Fermi catalogue within 1, 2 and 3 sigma error intervals of the coordinates and fluxes. Their properties are discussed in the presented work. Even 3-sigma difference allows supposing sources similarity because of more than 3-sigma distinctions in values of fluxes between identified EGRET sources and their Fermi counterparts. For instance, the coincidence between 3EG J1255-0549 and 3FGL J1256.1-0547 was reported in Fermi catalogues 1FGL, 2FGL, 3FGL. However, these sources fluxes (in units of 10 −8 photons × cm −2 × s −1 ) in the energy band E > 100 MeV were 179.7 ± 6.7 (3EG), 44.711 ± 0.724 (3FGL), 53.611 ± 0.997 (2FGL) and 67.939 ± 1.861 (1FGL). Such effect was observed for sufficient portion of identified EGRET sources. It could cause by troubles of particles identification by Fermi/LAT trigger system. Very often charged particles recognized as gamma-quanta because of wrong backsplash analysis. Nevertheless, gammas counts as charged particles due analogous reason and rejected during ground data processing. For example, it appears as geomagnetic modulation presence on gamma-quanta count rate latitudinal profiles in energy band E > 20 MeV. (paper)

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

Science.gov (United States)

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

VizieR Online Data Catalog: Fermi unassociated sources ATCA observations (Petrov+, 2013)

Science.gov (United States)

Petrov, L.; Mahony, E. K.; Edwards, P. G.; Sadler, E. M.; Schinzel, F. K.; McConnell, D.

2014-07-01

Table S1: catalogue of 146 objects detected at both 5 and 9GHz sub-bands of 2FGL sources marked as unassociated within the ellipse of 99% probability of their localization Table S2: catalogue of 229 objects detected only at 5GHz sub-band within the ellipses of 99% probability of localisation of Fermi sources marked as unassociated in 2FGL catalogue. Table S3: catalogue of 49 objects detected at sidelobes of either 5 or 9GHz beam within the ellipses of 99% probability of localisation of Fermi sources marked as unassociated in 2FGL catalogue. (3 data files).

Valence band electronic structure and band alignment of LaAlO{sub 3}/SrTiO{sub 3}(111) heterointerfaces

Energy Technology Data Exchange (ETDEWEB)

Gabel, J.; Scheiderer, P.; Zapf, M.; Schuetz, P.; Sing, M.; Claessen, R. [Physikalisches Institut and Roentgen Center for Complex Material Systems (RCCM), Universitaet Wuerzburg (Germany); Schlueter, C.; Lee, T.L. [Diamond Light Source, Didcot (United Kingdom)

2015-07-01

As in the famous LaAlO{sub 3}(LAO)/SrTiO{sub 3}(STO) (001) a two-dimensional electron system (2DES) also forms at the interface between LAO and STO in (111) orientation. A distinct feature of the (111) interface is its peculiar real space topology. Each bilayer represents a buckled honeycomb lattice similar to graphene which is known theoretically to host various topologically non-trivial states. Bilayer STO in proximity to the interface can be regarded as a three-orbital generalization of graphene with enhanced electron correlations making it a promising candidate for the realization of strongly correlated topological phases. We have investigated the electronic structure of the LAO/STO (111) heterostructure in relation to the oxygen vacancy concentration which we can control by synchrotron light irradiation and oxygen dosing. With hard X-ray photoemission we study the core levels, whereas resonant soft X-ray photoemission is used to probe the interfacial valence band (VB) states. Two VB features are found: a peak at the Fermi level associated with the 2DES and in-gap states at higher binding energies attributed to oxygen vacancies. By varying the oxygen vacancy contribution we can tune the emergence of the VB states and engineer the interfacial band alignment.

Microscopic Fermi liquid approach to disordered narrow band systems

International Nuclear Information System (INIS)

Kolley, E.; Kolley, W.

1977-01-01

A Fermi liquid approach to tightly bound electrons in disordered systems is proposed to evaluate two-particle correlation functions L at T=0 deg K. Starting with a random Hubbard model and using a local ladder approximation in the particle-particle channel the irreducible particle-hole vertex is derived, being the kernel of the Bethe-Salpeter equation for L. CPA vertex corrections to the electrical conductivity and, for the ordered case, the correlation-enhanced paramagnetic susceptibility are calculated

Complex band structure and electronic transmission eigenchannels

DEFF Research Database (Denmark)

Jensen, Anders; Strange, Mikkel; Smidstrup, Soren

2017-01-01

and complex band structure, in this case individual eigenchannel transmissions and different complex bands. We present calculations of decay constants for the two most conductive states as determined by complex band structure and standard DFT Landauer transport calculations for one semi-conductor and two...

Fermi-edge superfluorescence from a quantum-degenerate electron-hole gas

Science.gov (United States)

Kim, Ji-Hee; , G. Timothy Noe, II; McGill, Stephen A.; Wang, Yongrui; Wójcik, Aleksander K.; Belyanin, Alexey A.; Kono, Junichiro

2013-11-01

Nonequilibrium can be a source of order. This rather counterintuitive statement has been proven to be true through a variety of fluctuation-driven, self-organization behaviors exhibited by out-of-equilibrium, many-body systems in nature (physical, chemical, and biological), resulting in the spontaneous appearance of macroscopic coherence. Here, we report on the observation of spontaneous bursts of coherent radiation from a quantum-degenerate gas of nonequilibrium electron-hole pairs in semiconductor quantum wells. Unlike typical spontaneous emission from semiconductors, which occurs at the band edge, the observed emission occurs at the quasi-Fermi edge of the carrier distribution. As the carriers are consumed by recombination, the quasi-Fermi energy goes down toward the band edge, and we observe a continuously red-shifting streak. We interpret this emission as cooperative spontaneous recombination of electron-hole pairs, or superfluorescence (SF), which is enhanced by Coulomb interactions near the Fermi edge. This novel many-body enhancement allows the magnitude of the spontaneously developed macroscopic polarization to exceed the maximum value for ordinary SF, making electron-hole SF even more ``super'' than atomic SF.

The complex band structure for armchair graphene nanoribbons

International Nuclear Information System (INIS)

Zhang Liu-Jun; Xia Tong-Sheng

2010-01-01

Using a tight binding transfer matrix method, we calculate the complex band structure of armchair graphene nanoribbons. The real part of the complex band structure calculated by the transfer matrix method fits well with the bulk band structure calculated by a Hermitian matrix. The complex band structure gives extra information on carrier's decay behaviour. The imaginary loop connects the conduction and valence band, and can profoundly affect the characteristics of nanoscale electronic device made with graphene nanoribbons. In this work, the complex band structure calculation includes not only the first nearest neighbour interaction, but also the effects of edge bond relaxation and the third nearest neighbour interaction. The band gap is classified into three classes. Due to the edge bond relaxation and the third nearest neighbour interaction term, it opens a band gap for N = 3M − 1. The band gap is almost unchanged for N = 3M + 1, but decreased for N = 3M. The maximum imaginary wave vector length provides additional information about the electrical characteristics of graphene nanoribbons, and is also classified into three classes

Topology of Fermi surfaces and anomaly inflows

Energy Technology Data Exchange (ETDEWEB)

Adem, Alejandro; Camarena, Omar Antolín [Department of Mathematics, University of British Columbia,1984 Mathematics Road, Vancouver, V6T 1Z2 (Canada); Semenoff, Gordon W. [Department of Physics and Astronomy, University of British Columbia,6224 Agricultural Road, Vancouver, V6T 1Z1 (Canada); Sheinbaum, Daniel [Department of Mathematics, University of British Columbia,1984 Mathematics Road, Vancouver, V6T 1Z2 (Canada)

2016-11-14

We derive a rigorous classification of topologically stable Fermi surfaces of non-interacting, discrete translation-invariant systems from electronic band theory, adiabatic evolution and their topological interpretations. For systems on an infinite crystal it is shown that there can only be topologically unstable Fermi surfaces. For systems on a half-space and with a gapped bulk, our derivation naturally yields a K-theory classification. Given the d−1-dimensional surface Brillouin zone X{sub s} of a d-dimensional half-space, our result implies that different classes of globally stable Fermi surfaces belong in K{sup −1}(X{sub s}) for systems with only discrete translation-invariance. This result has a chiral anomaly inflow interpretation, as it reduces to the spectral flow for d=2. Through equivariant homotopy methods we extend these results for symmetry classes AI, AII, C and D and discuss their corresponding anomaly inflow interpretation.

Fermi Surface Properties of Eu-Divalent and Eu-Trivalent Electronic States with the AuCu3-type Cubic Structure

International Nuclear Information System (INIS)

Nakamura, Ai; Takeuchi, Tetsuya; Tatetsu, Yasutomi; Maehira, Takahiro; Hedo, Masato; Nakama, Takao; Ōnuki, Yoshichika; Harima, Hisatomo

2015-01-01

The electronic states in EuBi 3 and EuPd 3 are known to be Eu-divalent and Eu- trivalent, respectively, from the previous studies using polycrystal samples. In the present study, we succeeded in growing high-quality single crystals, and carried out the de Haas-van Alphen (dHvA) measurements and energy band calculations to clarify the Fermi surface properties

Two Dimensional Effective Electron Mass at the Fermi Level in Quantum Wells of III-V, Ternary and Quaternary Semiconductors.

Science.gov (United States)

Chakrabarti, S; Chatterjee, B; Debbarma, S; Ghatak, K P

2015-09-01

In this paper we study the influence of strong electric field on the two dimensional (2D)effective electron mass (EEM) at the Fermi level in quantum wells of III-V, ternary and quaternary semiconductors within the framework of k x p formalism by formulating a new 2D electron energy spectrum. It appears taking quantum wells of InSb, InAs, Hg(1-x)Cd(x)Te and In(1-x)Ga(x)As(1-y)P(y) lattice matched to InP as examples that the EEM increases with decreasing film thickness, increasing electric field and increases with increasing surface electron concentration exhibiting spikey oscillations because of the crossing over of the Fermi level by the quantized level in quantum wells and the quantized oscillation occurs when the Fermi energy touches the sub-band energy. The electric field makes the mass quantum number dependent and the oscillatory mass introduces quantum number dependent mass anisotropy in addition to energy. The EEM increases with decreasing alloy composition where the variations are totally band structure dependent. Under certain limiting conditions all the results for all the cases get simplified into the well-known parabolic energy bands and thus confirming the compatibility test. The content of this paper finds three applications in the fields of nano-science and technology.

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

Science.gov (United States)

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

2018-05-01

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

Universal structure of a strongly interacting Fermi gas

Energy Technology Data Exchange (ETDEWEB)

Kuhnle, Eva; Dyke, Paul; Hoinka, Sascha; Mark, Michael; Hu Hui; Liu Xiaji; Drummond, Peter; Hannaford, Peter; Vale, Chris, E-mail: cvale@swin.edu.au [ARC Centre of Excellence for Quantum Atom Optics, Swinburne University of Technology, Hawthorn 3122 (Australia)

2011-01-10

This paper presents studies of the universal properties of strongly interacting Fermi gases using Bragg spectroscopy. We focus on pair-correlations, their relationship to the contact C introduced by Tan, and their dependence on both the momentum and temperature. We show that short-range pair correlations obey a universal law, first derived by Tan through measurements of the static structure factor, which displays a universal scaling with the ratio of the contact to the momentum C/q. Bragg spectroscopy of ultracold {sup 6}Li atoms is employed to measure the structure factor for a wide range of momenta and interaction strengths, providing broad confirmation of this universal law. We show that calibrating our Bragg spectra using the f-sum rule leads to a dramatic improvement in the accuracy of the structure factor measurement. We also measure the temperature dependence of the contact in a unitary gas and compare our results to calculations based on a virial expansion.

Fermi-edge exciton-polaritons in doped semiconductor microcavities with finite hole mass

Science.gov (United States)

Pimenov, Dimitri; von Delft, Jan; Glazman, Leonid; Goldstein, Moshe

2017-10-01

The coupling between a 2D semiconductor quantum well and an optical cavity gives rise to combined light-matter excitations, the exciton-polaritons. These were usually measured when the conduction band is empty, making the single polariton physics a simple single-body problem. The situation is dramatically different in the presence of a finite conduction-band population, where the creation or annihilation of a single exciton involves a many-body shakeup of the Fermi sea. Recent experiments in this regime revealed a strong modification of the exciton-polariton spectrum. Previous theoretical studies concerned with nonzero Fermi energy mostly relied on the approximation of an immobile valence-band hole with infinite mass, which is appropriate for low-mobility samples only; for high-mobility samples, one needs to consider a mobile hole with large but finite mass. To bridge this gap, we present an analytical diagrammatic approach and tackle a model with short-ranged (screened) electron-hole interaction, studying it in two complementary regimes. We find that the finite hole mass has opposite effects on the exciton-polariton spectra in the two regimes: in the first, where the Fermi energy is much smaller than the exciton binding energy, excitonic features are enhanced by the finite mass. In the second regime, where the Fermi energy is much larger than the exciton binding energy, finite mass effects cut off the excitonic features in the polariton spectra, in qualitative agreement with recent experiments.

Bright solitons in Bose-Fermi mixtures

International Nuclear Information System (INIS)

Karpiuk, Tomasz; Brewczyk, Miroslaw; RzaPewski, Kazimierz

2006-01-01

We consider the formation of bright solitons in a mixture of Bose and Fermi degenerate gases confined in a three-dimensional elongated harmonic trap. The Bose and Fermi atoms are assumed to effectively attract each other whereas bosonic atoms repel each other. Strong enough attraction between bosonic and fermionic components can change the character of the interaction within the bosonic cloud from repulsive to attractive making thus possible the generation of bright solitons in the mixture. On the other hand, such structures might be in danger due to the collapse phenomenon existing in attractive gases. We show, however, that under some conditions (defined by the strength of the Bose-Fermi components attraction) the structures which neither spread nor collapse can be generated. For elongated enough traps the formation of solitons is possible even at the 'natural' value of the mutual Bose-Fermi ( 87 Rb- 40 K in our case) scattering length

Giant magnetoresistance, three-dimensional Fermi surface and origin of resistivity plateau in YSb semimetal.

Science.gov (United States)

Pavlosiuk, Orest; Swatek, Przemysław; Wiśniewski, Piotr

2016-12-09

Very strong magnetoresistance and a resistivity plateau impeding low temperature divergence due to insulating bulk are hallmarks of topological insulators and are also present in topological semimetals where the plateau is induced by magnetic field, when time-reversal symmetry (protecting surface states in topological insulators) is broken. Similar features were observed in a simple rock-salt-structure LaSb, leading to a suggestion of the possible non-trivial topology of 2D states in this compound. We show that its sister compound YSb is also characterized by giant magnetoresistance exceeding one thousand percent and low-temperature plateau of resistivity. We thus performed in-depth analysis of YSb Fermi surface by band calculations, magnetoresistance, and Shubnikov-de Haas effect measurements, which reveals only three-dimensional Fermi sheets. Kohler scaling applied to magnetoresistance data accounts very well for its low-temperature upturn behavior. The field-angle-dependent magnetoresistance demonstrates a 3D-scaling yielding effective mass anisotropy perfectly agreeing with electronic structure and quantum oscillations analysis, thus providing further support for 3D-Fermi surface scenario of magnetotransport, without necessity of invoking topologically non-trivial 2D states. We discuss data implying that analogous field-induced properties of LaSb can also be well understood in the framework of 3D multiband model.

The d-band of disordered Cu3Au as determined by constant initial state photoemission spectroscopy: a search for the origins of the disorder/order phase transition

International Nuclear Information System (INIS)

Stampfl, A.P.J.; Riley, J.D.; Leckey, R.C.G.

1998-01-01

Full text: Binary alloys must either order or phase separate as the temperature is lowered. Substitutionally disordered Cu 3 Au is known to order below a transition temperature of T c =390 deg C. The driving force (of ordering) is believed to be the lowering of free energy as a result of changes to the electronic and compositional structure. Details of the role that particular electronic levels play and the amount of coupling between the electronic and phonon structures, is as yet not fully understood. Gyorffy and Stocks have indeed suggested that instabilities in the electronic structure of the Fermi surface of Cu-Pd alloys may be the driving force for the disorder/order phase transition. It is expected, however, that the Fermi surfaces of ordered and disordered Cu 3 Au to be nearly similar. Our work on the Fermi surface of disordered Cu 3 Au supports this view. Large differences, however, are observed in the d-band region between the ordered and disordered phases and it has been suggested that these states may exhibit a type of electronic instability upon approaching T c . We present our initial study of the d-band region of disordered Cu 3 Au using a constant initial state spectroscopy technique which we previously developed to map the Fermi surface of Cu. Our technique allows the accurate k-space mapping of very flat bands such as d-levels. The k-space shape of the d-bands are compared to calculation and a discussion is given as to their likely role in the phase transition

Band structures in fractal grading porous phononic crystals

Science.gov (United States)

Wang, Kai; Liu, Ying; Liang, Tianshu; Wang, Bin

2018-05-01

In this paper, a new grading porous structure is introduced based on a Sierpinski triangle routine, and wave propagation in this fractal grading porous phononic crystal is investigated. The influences of fractal hierarchy and porosity on the band structures in fractal graidng porous phononic crystals are clarified. Vibration modes of unit cell at absolute band gap edges are given to manifest formation mechanism of absolute band gaps. The results show that absolute band gaps are easy to form in fractal structures comparatively to the normal ones with the same porosity. Structures with higher fractal hierarchies benefit multiple wider absolute band gaps. This work provides useful guidance in design of fractal porous phononic crystals.

Magnetic oscillations and quasiparticle band structure in the mixed state of type-II superconductors

International Nuclear Information System (INIS)

Norman, M.R.; MacDonald, A.H.; Akera, H.

1995-01-01

We consider magnetic oscillations due to Landau quantization in the mixed state of type-II superconductors. Our work is based on a previously developed formalism which allows the mean-field gap equations of the Abrikosov state to be conveniently solved in a Landau-level representation. We find that the quasiparticle band structure changes qualitatively when the pairing self-energy becomes comparable to the Landau-level separation. For small pairing self-energies, Landau-level mixing due to the superconducting order is weak and magnetic oscillations survive in the superconducting state although they are damped. We find that the width of the quasiparticle Landau levels in this regime varies approximately as Δ 0 n μ -1/4 where Δ 0 is proportional to the magnitude of the order parameter and n μ is the Landau-level index at the Fermi energy. For larger pairing self-energies, the lowest energy quasiparticle bands occur in pairs which are nearly equally spaced from each other and evolve with weakening magnetic field toward the bound states of an isolated vortex core. These bands have a weak magnetic field dependence and magnetic oscillations vanish rapidly in this regime. We discuss recent observations of the de Haas--van Alphen effect in the mixed state of several type-II superconductors in light of our results

Vortex Lattices in the Bose-Fermi Superfluid Mixture.

Science.gov (United States)

Jiang, Yuzhu; Qi, Ran; Shi, Zhe-Yu; Zhai, Hui

2017-02-24

In this Letter we show that the vortex lattice structure in the Bose-Fermi superfluid mixture can undergo a sequence of structure transitions when the Fermi superfluid is tuned from the BCS regime to the BEC regime. This is due to the difference in the vortex core structure of a Fermi superfluid in the BCS regime and in the BEC regime. In the BCS regime the vortex core is nearly filled, while the density at the vortex core gradually decreases until it empties out in the BEC regime. Therefore, with the density-density interaction between the Bose and the Fermi superfluids, interaction between the two sets of vortex lattices gets stronger in the BEC regime, which yields the structure transition of vortex lattices. In view of the recent realization of this superfluid mixture and vortices therein, our theoretical predication can be verified experimentally in the near future.

Fermi surface of superconducting LaFePO determined by quantum oscillations

Energy Technology Data Exchange (ETDEWEB)

Mcdonald, Ross D [Los Alamos National Laboratory; Coldea, A I [BRISTOL UNIV; Fletcher, J D [BRISTOL UNIV; Carrington, A [BRISTOL UNIV; Bangura, A F [BRISTOL UNIV; Hussey, N E [BRISTOL UNIV; Analytis, J G [STANFORD UNIV; Chu, J-h [STANFORD UNIV; Erickson, A S [STANFORD UNIV; Fisher, I R [STANFORD UNIV

2008-01-01

The recent discovery of superconductivity in ferrooxypnictides, which have a maximum transition temperature intermediate between the two other known high temperature superconductors MgB{sub 2} and the cuprate family, has generated huge interest and excitement. The most critical issue is the origin of the pairing mechanism. Whereas superconductivity in MgB{sub 2} has been shown to arise from strong electron-phonon coupling, the pairing glue in cuprate superconductors is thought by many to have a magnetic origin. The oxypnictides are highly susceptible to magnetic instabilities, prompting analogies with cuprate superconductivity. Progress on formulating the correct theory of superconductivity in these materials will be greatly aided by a detailed knowledge of the Fermi surface parameters. Here we report for the first time extensive measurements of quantum oscillations in a Fe-based superconductor, LaFePO, that provide a precise calliper of the size and shape of the Fermi surface and the effective masses of the relevant charge carriers. Our results show that the Fermi surface is composed of nearly-nested electron and hole pockets in broad agreement with the band-structure predictions but with significant enhancement of the quasiparticle masses. The correspondence in the electron and hole Fermi surface areas provides firm experimental evidence that LaFePO, whilst unreconstructed, lies extremely close to a spin-density-wave instability, thus favoring models that invoke such a magnetic origin for high-temperature superconductivity in oxypnictides.

True photonic band-gap mode-control in VCSEL structures

DEFF Research Database (Denmark)

Romstad, F.; Madsen, M.; Birkedal, Dan

2003-01-01

Photonic band-gap mode confinement in novel nano-structured large area VCSEL structures is confirmed by the amplified spontaneous emission spectrum. Both guide and anti-guide VCSEL structures are experimentally characterised to verify the photonic band-gap effect.......Photonic band-gap mode confinement in novel nano-structured large area VCSEL structures is confirmed by the amplified spontaneous emission spectrum. Both guide and anti-guide VCSEL structures are experimentally characterised to verify the photonic band-gap effect....

Non-Fermi Liquids as Highly Active Oxygen Evolution Reaction Catalysts.

Science.gov (United States)

Hirai, Shigeto; Yagi, Shunsuke; Chen, Wei-Tin; Chou, Fang-Cheng; Okazaki, Noriyasu; Ohno, Tomoya; Suzuki, Hisao; Matsuda, Takeshi

2017-10-01

The oxygen evolution reaction (OER) plays a key role in emerging energy conversion technologies such as rechargeable metal-air batteries, and direct solar water splitting. Herein, a remarkably low overpotential of ≈150 mV at 10 mA cm -2 disk in alkaline solutions using one of the non-Fermi liquids, Hg 2 Ru 2 O 7 , is reported. Hg 2 Ru 2 O 7 displays a rapid increase in current density and excellent durability as an OER catalyst. This outstanding catalytic performance is realized through the coexistence of localized d-bands with the metallic state that is unique to non-Fermi liquids. The findings indicate that non-Fermi liquids could greatly improve the design of highly active OER catalysts.

Probing the graphite band structure with resonant soft-x-ray fluorescence

Energy Technology Data Exchange (ETDEWEB)

Carlisle, J.A.; Shirley, E.L.; Hudson, E.A. [Lawrence Berkeley National Lab., CA (United States)] [and others

1997-04-01

Soft x-ray fluorescence (SXF) spectroscopy using synchrotron radiation offers several advantages over surface sensitive spectroscopies for probing the electronic structure of complex multi-elemental materials. Due to the long mean free path of photons in solids ({approximately}1000 {angstrom}), SXF is a bulk-sensitive probe. Also, since core levels are involved in absorption and emission, SXF is both element- and angular-momentum-selective. SXF measures the local partial density of states (DOS) projected onto each constituent element of the material. The chief limitation of SXF has been the low fluorescence yield for photon emission, particularly for light elements. However, third generation light sources, such as the Advanced Light Source (ALS), offer the high brightness that makes high-resolution SXF experiments practical. In the following the authors utilize this high brightness to demonstrate the capability of SXF to probe the band structure of a polycrystalline sample. In SXF, a valence emission spectrum results from transitions from valence band states to the core hole produced by the incident photons. In the non-resonant energy regime, the excitation energy is far above the core binding energy, and the absorption and emission events are uncoupled. The fluorescence spectrum resembles emission spectra acquired using energetic electrons, and is insensitive to the incident photon`s energy. In the resonant excitation energy regime, core electrons are excited by photons to unoccupied states just above the Fermi level (EF). The absorption and emission events are coupled, and this coupling manifests itself in several ways, depending in part on the localization of the empty electronic states in the material. Here the authors report spectral measurements from highly oriented pyrolytic graphite.

Transport in bilayer and trilayer graphene: band gap engineering and band structure tuning

Science.gov (United States)

Zhu, Jun

2014-03-01

Controlling the stacking order of atomically thin 2D materials offers a powerful tool to control their properties. Linearly dispersed bands become hyperbolic in Bernal (AB) stacked bilayer graphene (BLG). Both Bernal (ABA) and rhombohedral (ABC) stacking occur in trilayer graphene (TLG), producing distinct band structures and electronic properties. A symmetry-breaking electric field perpendicular to the sample plane can further modify the band structures of BLG and TLG. In this talk, I will describe our experimental effort in these directions using dual-gated devices. Using thin HfO2 film deposited by ALD as gate dielectric, we are able to apply large displacement fields D > 6 V/nm and observe the opening and saturation of the field-induced band gap Eg in bilayer and ABC-stacked trilayer graphene, where the conduction in the mid gap changes by more than six decades. Its field and temperature dependence highlights the crucial role played by Coulomb disorder in facilitating hopping conduction and suppressing the effect of Eg in the tens of meV regime. In contrast, mid-gap conduction decreases with increasing D much more rapidly in clean h-BN dual-gated devices. Our studies also show the evolution of the band structure in ABA-stacked TLG, in particular the splitting of the Dirac-like bands in large D field and the signatures of two-band transport at high carrier densities. Comparison to theory reveals the need for more sophisticated treatment of electronic screening beyond self-consistent Hartree calculations to accurately predict the band structures of trilayer graphene and graphenic materials in general.

Model construction and superconductivity analysis of organic conductors β-(BDA-TTP)2MF6 (M = P, As, Sb and Ta) based on first-principles band calculation

Science.gov (United States)

Aizawa, H.; Kuroki, K.; Yasuzuka, S.; Yamada, J.

2012-11-01

We perform a first-principles band calculation for a group of quasi-two-dimensional organic conductors β-(BDA-TTP)2MF6 (M = P, As, Sb and Ta). The ab-initio calculation shows that the density of states is correlated with the bandwidth of the singly occupied (highest) molecular orbital, while it is not necessarily correlated with the unit-cell volume. The direction of the major axis of the cross section of the Fermi surface lies in the Γ-B-direction, which differs from that obtained by the extended Hückel calculation. Then, we construct a tight-binding model which accurately reproduces the ab-initio band structure. The obtained transfer energies give a smaller dimerization than in the extended Hückel band. As to the difference in the anisotropy of the Fermi surface, the transfer energies along the inter-stacking direction are smaller than those obtained in the extended Hückel calculation. Assuming spin-fluctuation-mediated superconductivity, we apply random phase approximation to a two-band Hubbard model. This two-band Hubbard model is composed of the tight-binding model derived from the first-principles band structure and an on-site (intra-molecule) repulsive interaction taken as a variable parameter. The obtained superconducting gap changes sign four times along the Fermi surface like in a d-wave gap, and the nodal direction is different from that obtained in the extended Hückel model. Anion dependence of Tc is qualitatively consistent with the experimental observation.

Model construction and superconductivity analysis of organic conductors β-(BDA-TTP)2MF6 (M = P, As, Sb and Ta) based on first-principles band calculation

International Nuclear Information System (INIS)

Aizawa, H; Kuroki, K; Yasuzuka, S; Yamada, J

2012-01-01

We perform a first-principles band calculation for a group of quasi-two-dimensional organic conductors β-(BDA-TTP) 2 MF 6 (M = P, As, Sb and Ta). The ab-initio calculation shows that the density of states is correlated with the bandwidth of the singly occupied (highest) molecular orbital, while it is not necessarily correlated with the unit-cell volume. The direction of the major axis of the cross section of the Fermi surface lies in the Γ–B-direction, which differs from that obtained by the extended Hückel calculation. Then, we construct a tight-binding model which accurately reproduces the ab-initio band structure. The obtained transfer energies give a smaller dimerization than in the extended Hückel band. As to the difference in the anisotropy of the Fermi surface, the transfer energies along the inter-stacking direction are smaller than those obtained in the extended Hückel calculation. Assuming spin-fluctuation-mediated superconductivity, we apply random phase approximation to a two-band Hubbard model. This two-band Hubbard model is composed of the tight-binding model derived from the first-principles band structure and an on-site (intra-molecule) repulsive interaction taken as a variable parameter. The obtained superconducting gap changes sign four times along the Fermi surface like in a d-wave gap, and the nodal direction is different from that obtained in the extended Hückel model. Anion dependence of T c is qualitatively consistent with the experimental observation. (paper)

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

Science.gov (United States)

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

2018-03-01

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

Comparative study of the two-phonon Raman bands of silicene and graphene

International Nuclear Information System (INIS)

Popov, Valentin N; Lambin, Philippe

2016-01-01

We present a computational study of the two-phonon Raman spectra of silicene and graphene within a density-functional non-orthogonal tight-binding model. Due to the presence of linear bands close to the Fermi energy in the electronic structure of both structures, the Raman scattering by phonons is resonant. We find that the Raman spectra exhibit a crossover behavior for laser excitation close to the π-plasmon energy. This phenomenon is explained by the disappearance of certain paths for resonant Raman scattering and the appearance of other paths beyond this energy. Besides that, the electronic joint density of states (DOS) is divergent at this energy, which is reflected on the behavior of the Raman bands of the two structures in a qualitatively different way. Additionally, a number of Raman bands, originating from divergent phonon DOS at the M point and at points, inside the Brillouin zone, is also predicted. The calculated spectra for graphene are in excellent agreement with available experimental data. The obtained Raman bands can be used for structural characterization of silicene and graphene samples by Raman spectroscopy. (paper)

Broadband tunable electromagnetically induced transparency analogue metamaterials based on graphene in terahertz band

Science.gov (United States)

Wang, Yue; Leng, Yanbing; Wang, Li; Dong, Lianhe; Liu, Shunrui; Wang, Jun; Sun, Yanjun

2018-06-01

Most of the actively controlled electromagnetically induced transparency analogue (EIT-like) metamaterials were implemented with narrowband modulations. In this paper, a broadband tunable EIT-like metamaterial based on graphene in the terahertz band is presented. It consists of a cut wire as the bright resonator and two couples of H-shaped resonators in mirror symmetry as the dark resonators. A broadband tunable property of transmission amplitude is realized by changing the Fermi level of graphene. Furthermore, the geometries of the metamaterial structure are optimized to achieve the ideal curve through the simulation. Such EIT-like metamaterials proposed here are promising candidates for designing active wide-band slow-light devices, wide-band terahertz active filters, and wide-band terahertz modulators.

Relation between X-Ray and γ-Ray Emissions for Fermi Blazars ...

Indian Academy of Sciences (India)

Abstract. Using γ-ray band data detected by Fermi Large Area Tele- scope (LAT) and X-ray band data for 78 blazars, we find a medium cor- relation between X-ray and γ-ray fluxes in the average state. A medium anticorrelation is also found between X-ray (1 KeV) mean spectral index αx and γ-ray mean spectral index αγ for ...

Nested Fermi surfaces and order in the rare earth nickel borocarbides and copper palladium alloys

International Nuclear Information System (INIS)

Wilkinson, Ian

2002-01-01

the same mechanism as above drives the long-range compositional order in Cu-Pd alloys close to this Pd concentration. Here, the first experimentally determined three-dimensional Fermi surfaces of Cu 0.72 Pd 0.28 and Cu 0.6 Pd 0.4 are presented, each reconstructed from five 2D-ACAR projections. This three-dimensional measurement has allowed a thorough topological assessment of each Fermi surface, confirming the existence of significant flat, parallel areas. The flat sections were found to be considerably larger in the 40 at. % Pd sample, as predicted by theory and inferred from experiment. Finally, the spanning vectors between the flat areas are in excellent agreement with those deduced from band structure calculations and diffraction experiments. (author)

Fermi level splitting and thermionic current improvement in low-dimensional multi-quantum-well (MQW) p-i-n structures

International Nuclear Information System (INIS)

Varonides, Argyrios C.

2006-01-01

Photo-excitation and subsequent thermionic currents are essential components of photo-excited carrier transport in multi-quantum-well photovoltaic (hetero-PV) structures. p-i-n multi-quantum structures are useful probes for a better understanding of PV device properties. Illumination of the intrinsic region of p-i-n multi-structures causes carrier trapping in any of the quantum wells, and subsequent carrier recombination or thermal escape is possible. At the vicinity of a quantum well, we find that the (quasi) Fermi levels undergo an upward split by a small, but non-negligible, energy amount ΔE F in the order of 12 meV. We conclude this fact by comparing the photo-excited carriers trapped in a quantum well, under illumination, to the carrier concentrations under dark. Based on such a prediction, we subsequently relate thermionic current density dependence on Fermi level splitting, concluding that excess thermal currents may increase by a factor of the order of 2. We conclude that illumination causes (a) Fermi level separation and (b) an apparent increase in thermionic currents

Measurement of the Atomic Orbital Composition of the Near-Fermi-Level Electronic States in the Lanthanum Monopnictides LaBi and LaSb

Science.gov (United States)

Nummy, Thomas; Waugh, Justin; Parham, Stephen; Li, Haoxiang; Zhou, Xiaoqing; Plumb, Nick; Tafti, Fazel; Dessau, Daniel

Angle resolved photoemission spectroscopy (ARPES) is used to measure the electronic structure of the Extreme Magnetoresistance (XMR) topological semimetal candidates LaBi and LaSb. Using a wide range of photon energies the true bulk states are cleanly disentangled from the various types of surface states, which may exist due to surface projections of bulk states as well as for topological reasons. The orbital content of the near-EF states are extracted using varying photon polarizations. The measured bulk bands are somewhat lighter and are energy shifted compared to the results of Density Functional calculations, which is a minor effect in LaBi and a more serious effect in LaSb. This bulk band structure puts LaBi in the v = 1 class of Topological Insulators (or semimetals), consistent with the measured Dirac-like surface states. LaSb on the other hand is at the verge of a topological band inversion, with a less-clear case for any distinctly topological surface states. The low-dimensional cigar-shaped bulk Fermi surfaces for both compounds are separated out by orbital content, with a crossover from pnictide d orbitals to La p orbitals around the Fermi surface, which through strong spin-orbit coupling may be relevant for the Extreme Magnetoresistance. NSF GRFP.

Internal photoemission for photovoltaic using p-type Schottky barrier: Band structure dependence and theoretical efficiency limits

Science.gov (United States)

Shih, Ko-Han; Chang, Yin-Jung

2018-01-01

Solar energy conversion via internal photoemission (IPE) across a planar p-type Schottky junction is quantified for aluminum (Al) and copper (Cu) in the framework of direct transitions with non-constant matrix elements. Transition probabilities and k-resolved group velocities are obtained based on pseudo-wavefunction expansions and realistic band structures using the pseudopotential method. The k-resolved number of direct transitions, hole photocurrent density, quantum yield (QY), and the power conversion efficiency (PCE) under AM1.5G solar irradiance are subsequently calculated and analyzed. For Al, the parabolic and "parallel-band" effect along the U-W-K path significantly enhances the transition rate with final energies of holes mainly within 1.41 eV below the Fermi energy. For Cu, d-state hot holes mostly generated near the upper edge of 3d bands dominate the hole photocurrent and are weekly (strongly) dependent on the barrier height (metal film thickness). Hot holes produced in the 4s band behave just oppositely to their d-state counterparts. Non-constant matrix elements are shown to be necessary for calculations of transitions due to time-harmonic perturbation in Cu. Compared with Cu, Al-based IPE in p-type Schottky shows the highest PCE (QY) up to about 0.2673% (5.2410%) at ΦB = 0.95 eV (0.5 eV) and a film thickness of 11 nm (20 nm). It is predicted that metals with relatively dispersionless d bands (such as Cu) in most cases do not outperform metals with photon-accessible parallel bands (such as Al) in photon energy conversion using a planar p-type Schottky junction.

The structural, electronic and optical properties of Nd doped ZnO using first-principles calculations

Science.gov (United States)

Wen, Jun-Qing; Zhang, Jian-Min; Chen, Guo-Xiang; Wu, Hua; Yang, Xu

2018-04-01

The density functional theory calculations using general gradient approximation (GGA) applying Perdew-Burke-Ernzerhof (PBE) as correlation functional have been systematically performed to research the formation energy, the electronic structures, band structures, total and partial DOS, and optical properties of Nd doping ZnO with the content from 6.25% to 12.5%. The formation energies are negative for both models, which show that two structures are energetically stable. Nd doping ZnO crystal is found to be a direct band gap semiconductor and Fermi level shifts upward into conduction band, which show the properties of n-type semiconductor. Band structures are more compact after Nd doping ZnO, implying that Nd doping induces the strong interaction between different atoms. Nd doping ZnO crystal presents occupied states at near Fermi level, which mainly comes from the Nd 4f orbital. The calculated optical properties imply that Nd doping causes a red-shift of absorption peaks, and enhances the absorption of the visible light.

Amniotic band-like structures | Govender | Obstetrics and ...

African Journals Online (AJOL)

Intra-amniotic band-like structures are seen fairly commonly on routine obstetric scans, especially during the first and second trimesters of pregnancy. It is important to establish the cause for such findings in order to determine their clinical significance and to assess prognosis. The vast majority of band-like structures are ...

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

Science.gov (United States)

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.

Self-energy behavior away from the Fermi surface in doped Mott insulators.

Science.gov (United States)

Merino, J; Gunnarsson, O; Kotliar, G

2016-02-03

We analyze self-energies of electrons away from the Fermi surface in doped Mott insulators using the dynamical cluster approximation to the Hubbard model. For large onsite repulsion, U, and hole doping, the magnitude of the self-energy for imaginary frequencies at the top of the band ([Formula: see text]) is enhanced with respect to the self-energy magnitude at the bottom of the band ([Formula: see text]). The self-energy behavior at these two [Formula: see text]-points is switched for electron doping. Although the hybridization is much larger for (0, 0) than for [Formula: see text], we demonstrate that this is not the origin of this difference. Isolated clusters under a downward shift of the chemical potential, [Formula: see text], at half-filling reproduce the overall self-energy behavior at (0, 0) and [Formula: see text] found in low hole doped embedded clusters. This happens although there is no change in the electronic structure of the isolated clusters. Our analysis shows that a downward shift of the chemical potential which weakly hole dopes the Mott insulator can lead to a large enhancement of the [Formula: see text] self-energy for imaginary frequencies which is not associated with electronic correlation effects, even in embedded clusters. Interpretations of the strength of electronic correlations based on self-energies for imaginary frequencies are, in general, misleading for states away from the Fermi surface.

Charge transfer effects on the Fermi surface of Ba0.5K 0.5Fe2As2

KAUST Repository

Nazir, Safdar

2011-01-31

Ab-initio calculations within density functional theory are performed to obtain a more systematic understanding of the electronic structure of iron pnictides. As a prototypical compound we study Ba0.5K 0.5Fe2As2 and analyze the changes of its electronic structure when the interaction between the Fe2As 2 layers and their surrounding is modified. We find strong effects on the density of states near the Fermi energy as well as the Fermi surface. The role of the electron donor atoms in iron pnictides thus cannot be understood in a rigid band picture. Instead, the bonding within the Fe2As 2 layers reacts to a modified charge transfer from the donor atoms by adapting the intra-layer Fe-As hybridization and charge transfer in order to maintain an As3- valence state. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Charge transfer effects on the Fermi surface of Ba0.5K 0.5Fe2As2

KAUST Repository

Nazir, Safdar; Zhu, Zhiyong; Schwingenschlö gl, Udo

2011-01-01

Ab-initio calculations within density functional theory are performed to obtain a more systematic understanding of the electronic structure of iron pnictides. As a prototypical compound we study Ba0.5K 0.5Fe2As2 and analyze the changes of its electronic structure when the interaction between the Fe2As 2 layers and their surrounding is modified. We find strong effects on the density of states near the Fermi energy as well as the Fermi surface. The role of the electron donor atoms in iron pnictides thus cannot be understood in a rigid band picture. Instead, the bonding within the Fe2As 2 layers reacts to a modified charge transfer from the donor atoms by adapting the intra-layer Fe-As hybridization and charge transfer in order to maintain an As3- valence state. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fermi surface and quantum well states of V(110) films on W(110)

International Nuclear Information System (INIS)

Krupin, Oleg; Rotenberg, Eli; Kevan, S D

2007-01-01

Using angle-resolved photoemission spectroscopy, we have measured the Fermi surface of V(110) films epitaxially grown on a W(110) substrate. We compare our results for thicker films to existing calculations and measurements for bulk vanadium and find generally very good agreement. For thinner films, we observe and analyse a diverse array of quantum well states that split and distort the Fermi surface segments. We have searched unsuccessfully for a thickness-induced topological transition associated with contact between the zone-centre jungle gym and zone-boundary hole ellipsoid Fermi surface segments. We also find no evidence for ferromagnetic splitting of any bands on this surface

Fermi surface and quantum well states of V(110) films on W(110)

Energy Technology Data Exchange (ETDEWEB)

Krupin, Oleg [MS 6-2100, Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Rotenberg, Eli [MS 6-2100, Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Kevan, S D [Department of Physics, University of Oregon, Eugene, OR 97403 (United States)

2007-09-05

Using angle-resolved photoemission spectroscopy, we have measured the Fermi surface of V(110) films epitaxially grown on a W(110) substrate. We compare our results for thicker films to existing calculations and measurements for bulk vanadium and find generally very good agreement. For thinner films, we observe and analyse a diverse array of quantum well states that split and distort the Fermi surface segments. We have searched unsuccessfully for a thickness-induced topological transition associated with contact between the zone-centre jungle gym and zone-boundary hole ellipsoid Fermi surface segments. We also find no evidence for ferromagnetic splitting of any bands on this surface.

Wakefield Band Partitioning in LINAC Structures

International Nuclear Information System (INIS)

Jones, Roger M

2003-01-01

In the NLC project multiple bunches of electrons and positrons will be accelerated initially to a centre of mass of 500 GeV and later to 1 TeV or more. In the process of accelerating 192 bunches within a pulse train, wakefields are excited which kick the trailing bunches off axis and can cause luminosity dilution and BBU (Beam Break Up). Several structures to damp the wakefield have been designed and tested at SLAC and KEK and these have been found to successfully damp the wakefield [1]. However, these 2π/3 structures suffered from electrical breakdown and this has prompted us to explore lower group velocity structures operating at higher fundamental mode phase advances. The wakefield partitioning amongst the bands has been found to change markedly with increased phase advance. Here we report on general trends in the kick factor and associated wakefield band partitioning in dipole bands as a function of phase advance of the synchronous mode in linacs. These results are applicable to both TW (travelling wave) and SW (standing wave) structures

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

Science.gov (United States)

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.

Strain-induced fermi contour anisotropy of GaAs 2D holes.

Science.gov (United States)

Shabani, J; Shayegan, M; Winkler, R

2008-03-07

We report measurements of magnetoresistance commensurability peaks, induced by a square array of antidots, in GaAs (311)A two-dimensional holes as a function of applied in-plane strain. The data directly probe the shapes of the Fermi contours of the two spin subbands that are split thanks to the spin-orbit interaction and strain. The experimental results are in quantitative agreement with the predictions of accurate energy band calculations, and reveal that the majority spin subband has a severely distorted Fermi contour whose anisotropy can be tuned with strain.

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

Science.gov (United States)

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

2018-02-01

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

Non-Fermi liquid behaviour in UCoAl: Pressure variations

Czech Academy of Sciences Publication Activity Database

Havela, L.; Honda, F.; Griveau, J.C.; Andreev, Alexander V.; Kolomiets, A.; Sechovský, V.

408-412, - (2006), s. 1316-1319 ISSN 0925-8388 R&D Projects: GA ČR(CZ) GA202/04/1103; GA MŠk(CZ) ME 512 Institutional research plan: CEZ:AV0Z10100520 Keywords : non-Fermi liquid * band metamagnetism Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.250, year: 2006

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

International Nuclear Information System (INIS)

Yu, Jaejun; Freeman, A.J.

1991-01-01

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

Phase structure of strongly correlated Fermi gases

International Nuclear Information System (INIS)

Roscher, Dietrich

2015-01-01

Strongly correlated fermionic many-body systems are ubiquitous in nature. Their theoretical description poses challenging problems which are further complicated when imbalances in, e.g., the particle numbers of the involved species or their masses are introduced. In this thesis, a number of different approaches is developed and applied in order to obtain predictions for physical observables of such systems that mutually support and confirm each other. In a first step, analytically well-founded mean-field analyses are carried through. One- and three-dimensional ultracold Fermi gases with spin and mass imbalance as well as Gross-Neveu and NJL-type relativistic models at finite baryon chemical potential are investigated with respect to their analytic properties in general and the occurrence of spontaneous breaking of translational invariance in particular. Based on these studies, further methods are devised or adapted allowing for investigations also beyond the mean-field approximation. Lattice Monte Carlo simulations with imaginary imbalance parameters are employed to surmount the infamous sign problem and compute the equation of state of the respective unitary Fermi gases. Moreover, in-medium two-body analyses are used to confirm and explain the characteristics of inhomogeneously ordered phases. Finally, functional RG methods are applied to the unitary Fermi gas with spin and mass imbalance. Besides quantitatively competitive predictions for critical temperatures for the superfluid state, strong hints on the stability of inhomogeneous phases with respect to order parameter fluctuations in the regime of large mass imbalance are obtained. Combining the findings from these different theoretical studies suggests the possibility to find such phases in experiments presently in preparation.

Long-range spin-singlet proximity effect for a Josephson system with a single-crystal ferromagnet due to its band-structure features

Science.gov (United States)

Avdeev, M. V.; Proshin, Yu. N.

2018-03-01

A possible explanation for the long-range proximity effect observed in single-crystalline cobalt nanowires sandwiched between two tungsten superconducting electrodes [Nat. Phys. 6, 389 (2010), 10.1038/nphys1621] is proposed. The theoretical model uses properties of a ferromagnet band structure. Specifically, to connect the exchange field with the momentum of quasiparticles the distinction between the effective masses in majority and minority spin subbands and the Fermi-surface anisotropy are considered. The derived Eilenberger-like equations allowed us to obtain a renormalized exchange interaction that is completely compensated for some crystallographic directions under certain conditions. The proposed theoretical model is compared with previous approaches.

FERMI LARGE AREA TELESCOPE FIRST SOURCE CATALOG

International Nuclear Information System (INIS)

Abdo, A. A.; Ackermann, M.; Ajello, M.; Allafort, A.; Bechtol, K.; Berenji, B.; Blandford, R. D.; Bloom, E. D.; Antolini, E.; Bonamente, E.; Atwood, W. B.; Axelsson, M.; Baldini, L.; Bellazzini, R.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Bisello, D.; Baughman, B. M.; Belli, F.

2010-01-01

We present a catalog of high-energy gamma-ray sources detected by the Large Area Telescope (LAT), the primary science instrument on the Fermi Gamma-ray Space Telescope (Fermi), during the first 11 months of the science phase of the mission, which began on 2008 August 4. The First Fermi-LAT catalog (1FGL) contains 1451 sources detected and characterized in the 100 MeV to 100 GeV range. Source detection was based on the average flux over the 11 month period, and the threshold likelihood Test Statistic is 25, corresponding to a significance of just over 4σ. The 1FGL catalog includes source location regions, defined in terms of elliptical fits to the 95% confidence regions and power-law spectral fits as well as flux measurements in five energy bands for each source. In addition, monthly light curves are provided. Using a protocol defined before launch we have tested for several populations of gamma-ray sources among the sources in the catalog. For individual LAT-detected sources we provide firm identifications or plausible associations with sources in other astronomical catalogs. Identifications are based on correlated variability with counterparts at other wavelengths, or on spin or orbital periodicity. For the catalogs and association criteria that we have selected, 630 of the sources are unassociated. Care was taken to characterize the sensitivity of the results to the model of interstellar diffuse gamma-ray emission used to model the bright foreground, with the result that 161 sources at low Galactic latitudes and toward bright local interstellar clouds are flagged as having properties that are strongly dependent on the model or as potentially being due to incorrectly modeled structure in the Galactic diffuse emission.

The Marvels of Electromagnetic Band Gap (EBG) Structures

Science.gov (United States)

2003-11-01

terminology of "Electromagnetic conference papers and journal articles dealing with Band- gaps (EBG)". Recently, many researchers the characterizations...Band Gap (EBG) Structures 9 utilized to reduce the mutual coupling between Structures: An FDTD/Prony Technique elements of antenna arrays. based on the...Band- Gap of several patents. He has had pioneering research contributions in diverse areas of electromagnetics,Snteructure", Dymposiget o l 21 IE 48

Band structures in near spherical 138Ce

Science.gov (United States)

Bhattacharjee, T.; Chanda, S.; Bhattacharyya, S.; Basu, S. K.; Bhowmik, R. K.; Das, J. J.; Pramanik, U. Datta; Ghugre, S. S.; Madhavan, N.; Mukherjee, A.; Mukherjee, G.; Muralithar, S.; Singh, R. P.

2009-06-01

The high spin states of N=80138Ce have been populated in the fusion evaporation reaction 130Te( 12C, 4n) 138Ce at E=65 MeV. The γ transitions belonging to various band structures were detected and characterized using an array of five Clover Germanium detectors. The level scheme has been established up to a maximum spin and excitation energy of 23 ℏ and 9511.3 keV, respectively, by including 53 new transitions. The negative parity ΔI=1 band, developed on the 6536.3 keV 15 level, has been conjectured to be a magnetic rotation band following a semiclassical analysis and comparing the systematics of similar bands in the neighboring nuclei. The said band is proposed to have a four quasiparticle configuration of [πgh]⊗[. Other band structures are interpreted in terms of multi-quasiparticle configurations, based on Total Routhian Surface (TRS) calculations. For the low and medium spin states, a shell model calculation using a realistic two body interaction has been performed using the code OXBASH.

Synchrotron Studies of Narrow Band and Low-Dimensional Materials. Final Report for July 1, 1990 --- December 31, 2002

International Nuclear Information System (INIS)

Allen, J. W.

2003-01-01

This report summarizes a 12-year program of various kinds of synchrotron spectroscopies directed at the electronic structures of narrow band and low-dimensional materials that display correlated electron behaviors such as metal-insulator transitions, mixed valence, superconductivity, Kondo moment quenching, heavy Fermions, and non-Fermi liquid properties

A unique distortion in K{sub 1/3}Ba{sub 2/3}AgTe{sub 2}: X-ray diffraction determination and electronic band structure analysis of its incommensurately modulated structure

Energy Technology Data Exchange (ETDEWEB)

Gourdon, O; Hanko, J; Boucher, F; Petricek, V; Whangbo, M H; Kanatzidis, M G; Evain, M

2000-04-03

The incommensurately modulated structure of a square Te-net, namely that of K{sub 1/3}Ba{sub 2/3}AgTe{sub 2}, is determined from single-crystal X-ray diffraction data within a (3+1)D higher dimension formalism. The phase is shown to crystallize in the monoclinic symmetry, P2{sub 1}({alpha}0{gamma}) superspace group with the following lattice parameters: a = 4.6441(10) {angstrom}, b = 4.6292(12) {angstrom}, c = 23.765(9) {angstrom}, and {beta} = 101.28(2){degree} with q = 0.3248(6)a* {minus}0.07(8)c*, that is, in a symmetry different from that reported for the average structure (tetragonal) or that assumed from electron diffraction measurements (orthorhombic). After the introduction of a crenel function for the Te displacive description, the refinement converged to a residual factor R = 0.033 for 2583 observed reflections and 115 parameters (R = 0.024 and 0.101 for 1925 main reflections and 658 first-order satellites, respectively). The [Ag{sub 2}-Te{sub 2}] and the Ba/K layers are found to be only weakly modulated. The modulation of the square Te-net is, however, both substantial and unique. Namely, it results in two different units: a V-shaped Te{sub 3} trimer and a W-shaped Te{sub 5} pentamer. To examine both unit types, which are segregated in domains that aperiodically alternate within the Te layers, first principles electronic band structure calculations were carried out for three model commensurate structures using the tight-binding linear-muffin-tin-orbital method (LMTO). The calculations show that the distorted structures of V-pattern (model 2) and W-pattern (model 3) are more stable than the average structure (model 1) and that the V-pattern distortion provides a slightly larger stabilization than does the W-pattern distortion. The Fermi surface calculated for the average structure shows nesting vectors that are consistent with the occurrence of the V- and W-pattern distortions in the Te layers. However, these vectors do not predict the observed modulation

Intrinsic properties of high-spin band structures in triaxial nuclei

Science.gov (United States)

Jehangir, S.; Bhat, G. H.; Sheikh, J. A.; Palit, R.; Ganai, P. A.

2017-12-01

The band structures of 68,70Ge, 128,130,132,134Ce and 132,134,136,138Nd are investigated using the triaxial projected shell model (TPSM) approach. These nuclei depict forking of the ground-state band into several s-bands and in some cases, both the lowest two observed s-bands depict neutron or proton character. It was discussed in our earlier work that this anomalous behaviour can be explained by considering γ-bands based on two-quasiparticle configurations. As the parent band and the γ-band built on it have the same intrinsic structure, g-factors of the two bands are expected to be similar. In the present work, we have undertaken a detailed investigation of g-factors for the excited band structures of the studied nuclei and the available data for a few high-spin states are shown to be in fair agreement with the predicted values.

Band structures in the nematic elastomers phononic crystals

Energy Technology Data Exchange (ETDEWEB)

Yang, Shuai [Department of Mechanics, School of Civil Engineering, Beijing Jiaotong University, Beijing 100044 (China); School of Civil Engineering and Architecture, Anyang Normal University, Anyang 455000 (China); Liu, Ying, E-mail: yliu5@bjtu.edu.cn [Department of Mechanics, School of Civil Engineering, Beijing Jiaotong University, Beijing 100044 (China); Liang, Tianshu [Department of Mechanics, School of Civil Engineering, Beijing Jiaotong University, Beijing 100044 (China)

2017-02-01

As one kind of new intelligent materials, nematic elastomers (NEs) represent an exciting physical system that combines the local orientational symmetry breaking and the entropic rubber elasticity, producing a number of unique physical phenomena. In this paper, the potential application of NEs in the band tuning is explored. The band structures in two kinds of NE phononic crystals (PCs) are investigated. Through changing NE intrinsic parameters, the influence of the porosity, director rotation and relaxation on the band structures in NE PCs are analyzed. This work is a meaningful try for application of NEs in acoustic field and proposes a new intelligent strategy in band turning.

Band structures in the nematic elastomers phononic crystals

International Nuclear Information System (INIS)

Yang, Shuai; Liu, Ying; Liang, Tianshu

2017-01-01

As one kind of new intelligent materials, nematic elastomers (NEs) represent an exciting physical system that combines the local orientational symmetry breaking and the entropic rubber elasticity, producing a number of unique physical phenomena. In this paper, the potential application of NEs in the band tuning is explored. The band structures in two kinds of NE phononic crystals (PCs) are investigated. Through changing NE intrinsic parameters, the influence of the porosity, director rotation and relaxation on the band structures in NE PCs are analyzed. This work is a meaningful try for application of NEs in acoustic field and proposes a new intelligent strategy in band turning.

Competing order parameters in Fermi systems with engineered band dispersion

Science.gov (United States)

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

Band connectivity for topological quantum chemistry: Band structures as a graph theory problem

Science.gov (United States)

Bradlyn, Barry; Elcoro, L.; Vergniory, M. G.; Cano, Jennifer; Wang, Zhijun; Felser, C.; Aroyo, M. I.; Bernevig, B. Andrei

2018-01-01

The conventional theory of solids is well suited to describing band structures locally near isolated points in momentum space, but struggles to capture the full, global picture necessary for understanding topological phenomena. In part of a recent paper [B. Bradlyn et al., Nature (London) 547, 298 (2017), 10.1038/nature23268], we have introduced the way to overcome this difficulty by formulating the problem of sewing together many disconnected local k .p band structures across the Brillouin zone in terms of graph theory. In this paper, we give the details of our full theoretical construction. We show that crystal symmetries strongly constrain the allowed connectivities of energy bands, and we employ graph theoretic techniques such as graph connectivity to enumerate all the solutions to these constraints. The tools of graph theory allow us to identify disconnected groups of bands in these solutions, and so identify topologically distinct insulating phases.

Band structures in Sierpinski triangle fractal porous phononic crystals

International Nuclear Information System (INIS)

Wang, Kai; Liu, Ying; Liang, Tianshu

2016-01-01

In this paper, the band structures in Sierpinski triangle fractal porous phononic crystals (FPPCs) are studied with the aim to clarify the effect of fractal hierarchy on the band structures. Firstly, one kind of FPPCs based on Sierpinski triangle routine is proposed. Then the influence of the porosity on the elastic wave dispersion in Sierpinski triangle FPPCs is investigated. The sensitivity of the band structures to the fractal hierarchy is discussed in detail. The results show that the increase of the hierarchy increases the sensitivity of ABG (Absolute band gap) central frequency to the porosity. But further increase of the fractal hierarchy weakens this sensitivity. On the same hierarchy, wider ABGs could be opened in Sierpinski equilateral triangle FPPC; whilst, a lower ABG could be opened at lower porosity in Sierpinski right-angled isosceles FPPCs. These results will provide a meaningful guidance in tuning band structures in porous phononic crystals by fractal design.

Band structures in Sierpinski triangle fractal porous phononic crystals

Energy Technology Data Exchange (ETDEWEB)

Wang, Kai; Liu, Ying, E-mail: yliu5@bjtu.edu.cn; Liang, Tianshu

2016-10-01

In this paper, the band structures in Sierpinski triangle fractal porous phononic crystals (FPPCs) are studied with the aim to clarify the effect of fractal hierarchy on the band structures. Firstly, one kind of FPPCs based on Sierpinski triangle routine is proposed. Then the influence of the porosity on the elastic wave dispersion in Sierpinski triangle FPPCs is investigated. The sensitivity of the band structures to the fractal hierarchy is discussed in detail. The results show that the increase of the hierarchy increases the sensitivity of ABG (Absolute band gap) central frequency to the porosity. But further increase of the fractal hierarchy weakens this sensitivity. On the same hierarchy, wider ABGs could be opened in Sierpinski equilateral triangle FPPC; whilst, a lower ABG could be opened at lower porosity in Sierpinski right-angled isosceles FPPCs. These results will provide a meaningful guidance in tuning band structures in porous phononic crystals by fractal design.

Entropy excess in strongly correlated Fermi systems near a quantum critical point

Energy Technology Data Exchange (ETDEWEB)

Clark, J.W., E-mail: jwc@wuphys.wustl.edu [McDonnell Center for the Space Sciences and Department of Physics, Washington University, St. Louis, MO 63130 (United States); Zverev, M.V. [Russian Research Centre Kurchatov Institute, Moscow, 123182 (Russian Federation); Moscow Institute of Physics and Technology, Moscow, 123098 (Russian Federation); Khodel, V.A. [Russian Research Centre Kurchatov Institute, Moscow, 123182 (Russian Federation); McDonnell Center for the Space Sciences and Department of Physics, Washington University, St. Louis, MO 63130 (United States)

2012-12-15

quasiparticle theory to strongly correlated Fermi systems. Black-Right-Pointing-Pointer Analysis of associated topological phase transitions at a quantum critical point. Black-Right-Pointing-Pointer Fermi surface rearrangement featuring hole pockets or emergence of flat bands. Black-Right-Pointing-Pointer Shedding of flat-band excess entropy via pairing transition at very low temperature.

Nonlocal Poisson-Fermi double-layer models: Effects of nonuniform ion sizes on double-layer structure

Science.gov (United States)

Xie, Dexuan; Jiang, Yi

2018-05-01

This paper reports a nonuniform ionic size nonlocal Poisson-Fermi double-layer model (nuNPF) and a uniform ionic size nonlocal Poisson-Fermi double-layer model (uNPF) for an electrolyte mixture of multiple ionic species, variable voltages on electrodes, and variable induced charges on boundary segments. The finite element solvers of nuNPF and uNPF are developed and applied to typical double-layer tests defined on a rectangular box, a hollow sphere, and a hollow rectangle with a charged post. Numerical results show that nuNPF can significantly improve the quality of the ionic concentrations and electric fields generated from uNPF, implying that the effect of nonuniform ion sizes is a key consideration in modeling the double-layer structure.

Fermi surface in La/sub 2/CuO/sub 4-δ/ determine by positron 2D-ACAR

International Nuclear Information System (INIS)

Tanigawa, S.; Mizuhara, Y.; Hidaka, Y.; Oda, M.; Suzuki, M.; Murakami, T.

1988-01-01

The topology of the Fermi surface in La/sub 2/CuO/sub 4-δ/ is determined by two dimensional angular correlation measurements of annihilation radiations (2D-ACAR) at room temperature. The determined Fermi surface is two dimensional and has a slender electron pillar along ΓZ and two kinds of hole pillars along PX and along NN direction parallel to ΓZ, respectively. It is concluded that the Fermi surface is not a simple half filled one and this compound should be metallic at least at room temperature in the band picture

BAND STRUCTURE OF NON-STEIOCHIOMETRIC LARGE-SIZED NANOCRYSTALLITES

Directory of Open Access Journals (Sweden)

I.V.Kityk

2004-01-01

Full Text Available A band structure of large-sized (from 20 to 35nm non-steichiometric nanocrystallites (NC of the Si2-xCx (1.04 < x < 1.10 has been investigated using different band energy approaches and a modified Car-Parinello molecular dynamics structure optimization of the NC interfaces. The non-steichiometric excess of carbon favors the appearance of a thin prevailingly carbon-contained layer (with thickness of about 1 nm covering the crystallites. As a consequence, one can observe a substantial structure reconstruction of boundary SiC crystalline layers. The numerical modeling has shown that these NC can be considered as SiC reconstructed crystalline films with thickness of about 2 nm covering the SiC crystallites. The observed data are considered within the different one-electron band structure methods. It was shown that the nano-sized carbon sheet plays a key role in a modified band structure. Independent manifestation of the important role played by the reconstructed confined layers is due to the experimentally discovered excitonic-like resonances. Low-temperature absorption measurements confirm the existence of sharp-like absorption resonances originating from the reconstructed layers.

The radio-γ-ray connection in Fermi blazars

Science.gov (United States)

Ghirlanda, G.; Ghisellini, G.; Tavecchio, F.; Foschini, L.; Bonnoli, G.

2011-05-01

We study the correlation between the γ-ray flux (Fγ), averaged over the first 11 months of the Fermi survey and integrated above 100 MeV, and the radio flux density (Fr at 20 GHz) of Fermi sources associated with a radio counterpart in the 20-GHz Australia Telescope Compact Array (AT20G) survey. Considering the blazars detected in both bands, the correlation is highly significant and has the form Fγ∝F0.85±0.04r, similar to BL Lacertae objects and flat-spectrum radio quasars. However, only a small fraction (˜1/15) of the AT20G radio sources with flat radio spectra are detected by Fermi. To understand if this correlation is real, we examine the selection effects introduced by the flux limits of both the radio and the γ-ray surveys, and the importance of variability of the γ-ray flux. After accounting for these effects, we find that the radio-γ-ray flux correlation is real, but its slope is steeper than the observed one, that is, Fγ∝Fδr with δ in the range 1.25-1.5. The observed Fγ-Fr correlation and the fraction of radio sources detected by Fermi are reproduced assuming a long-term γ-ray flux variability, following a lognormal probability distribution with standard deviation σ≥ 0.5 (corresponding to Fγ varying by at least a factor of 3). Such a variability is compatible, even if not necessarily equal, with what is observed when comparing, for the sources in common, the EGRET and the Fermi γ-ray fluxes (even if the Fermi fluxes are averaged over ˜1 yr). Another indication of variability is the non-detection of 12 out of 66 EGRET blazars by Fermi, despite its higher sensitivity. We also study the strong linear correlation between the γ-ray and the radio luminosity of the 144 AT20G-Fermi associations with known redshift and show, through partial correlation analysis, that it is statistically robust. Two possible implications of these correlations are discussed: the contribution of blazars to the extragalactic γ-ray background and the prediction

Fermi Large Area Telescope

Science.gov (United States)

are available to the public, along with standard analysis software, from NASA's Fermi Science Support Center. For general questions about Fermi, Fermi science, or Fermi classroom materials, please contact Fermi has its own music: a prelude and a symphony. Gamma Ray Bursts trasformed into visual music

Band Structure Characteristics of Nacreous Composite Materials with Various Defects

Science.gov (United States)

Yin, J.; Zhang, S.; Zhang, H. W.; Chen, B. S.

2016-06-01

Nacreous composite materials have excellent mechanical properties, such as high strength, high toughness, and wide phononic band gap. In order to research band structure characteristics of nacreous composite materials with various defects, supercell models with the Brick-and-Mortar microstructure are considered. An efficient multi-level substructure algorithm is employed to discuss the band structure. Furthermore, two common systems with point and line defects and varied material parameters are discussed. In addition, band structures concerning straight and deflected crack defects are calculated by changing the shear modulus of the mortar. Finally, the sensitivity of band structures to the random material distribution is presented by considering different volume ratios of the brick. The results reveal that the first band gap of a nacreous composite material is insensitive to defects under certain conditions. It will be of great value to the design and synthesis of new nacreous composite materials for better dynamic properties.

Circular orbits in cosmic string and Schwarzschild-AdS spacetime with Fermi-Walker transport

International Nuclear Information System (INIS)

Bakke, K.; Furtado, C.; Carvalho, A.M. de

2009-01-01

In this paper we discuss the Fermi-Walker transport of vectors along orbits in cosmic string and Schwarzschild-AdS spacetimes. We analyze the influence of acceleration on these holonomies. An effect similar to Thomas precession is observed within the process of Fermi-Walker transport along these circular orbits which are studied in the limit of vanishing cosmological constant in Schwarzschild-AdS case; also we obtain Fermi-Walker transport in a Schwarzschild background. In the case of a Schwarzschild spacetime, we analyze the quantized band holonomy invariance. In the limit of zero acceleration we recover the well-known results for holonomy matrix obtained by parallel transport in all these spacetimes. (orig.)

Analysis on X-band structure breakdown at GLCTA

International Nuclear Information System (INIS)

Suehara, T.; Sanuki, T.; Komamiya, S.; Higo, T.; Hayano, H.; Terunuma, N.; Saeki, T.; Watanabe, K.; Hayakawa, A.; Tsukada, Y.

2004-01-01

We have built a new monitoring system for accelerator structure breakdown in the X-band high-gradient test facility at KEK (GLCTA: Global Linear Collider Test Accelerator). An X-band test structure KX01 (made by KEK) has been processed at GLCTA and we have been collecting data for about 3 months using this breakdown monitoring system. We describe overview of the monitoring system and preliminary result of breakdown analysis of the structure. (author)

Maximizing band gaps in plate structures

DEFF Research Database (Denmark)

Halkjær, Søren; Sigmund, Ole; Jensen, Jakob Søndergaard

2006-01-01

periodic plate using Bloch theory, which conveniently reduces the maximization problem to that of a single base cell. Secondly, we construct a finite periodic plate using a number of the optimized base cells in a postprocessed version. The dynamic properties of the finite plate are investigated......Band gaps, i.e., frequency ranges in which waves cannot propagate, can be found in elastic structures for which there is a certain periodic modulation of the material properties or structure. In this paper, we maximize the band gap size for bending waves in a Mindlin plate. We analyze an infinite...... theoretically and experimentally and the issue of finite size effects is addressed....

Electronic band structure of lithium, sodium and potassium fluorides

International Nuclear Information System (INIS)

Jouanin, C.; Albert, J.P.; Gout, C.

1975-01-01

A mixed tight-binding, pseudopotential method is proposed to calculate the energy band structure of large-gap crystals and is tested here on LiF, NaF and KF. Three-centre terms are included in the determination of the valence bands by the tight-binding method and for the conduction bands we use a pseudopotential model proposed by Bassani and Giuliano, modified for the positive ions. By taking into account the polarization corrections, transitions calculated from the energy band structures are compared with experimental data and the agreement is generally good

I. A model for the magnetic equation of state of liquid 3He. II. An induced interaction model for a two-component Fermi liquid

International Nuclear Information System (INIS)

Sanchez-Castro, C.R.

1988-01-01

This dissertation is divided in six chapters. Chapter 1 is an introduction to the rest of the dissertation. In it, the author presents the different models for the magnetic equation state of liquid 3 He, a derivation of the induced interaction equations for a one component Fermi liquid, and discuss the basic hamiltonian describing the heavy fermion compounds. In Chapter 2 and Chapter 3, he presents a complete discussion of the thermodynamics and Landau theory of a spin polarized Fermi liquid. A phenomenological model is then developed to predict the polarization dependence of the longitudinal Landau parameters in liquid 3 He. This model predicts a new magnetic equation of state and the possibility of liquid 3 He being 'nearly metamagnetic' at high pressures. Chapter 4 contains a microscopic calculation of the magnetic field dependence of the Landau parameters in a strongly correlated Fermi system using the induced interaction model. The system he studied consists of a single component Fermi liquid with parabolic energy bands, and a large on-site repulsive interaction. In Chapter 5, he presents a complete discussion of the Landau theory of a two component Fermi liquid. Then, he generalizes the induced interaction equations to calculate Landau parameters and scattering amplitudes for an arbitrary, spin polarized, two component Fermi liquid. The resulting equations are used to study a model for the heavy fermion Fermi liquid state: a two band electronic system with an antiferromagnetic interaction between the two bands. Chapter 6 contains the concluding remarks of the dissertation

Band structure analysis in SiGe nanowires

Energy Technology Data Exchange (ETDEWEB)

Amato, Michele [' Centro S3' , CNR-Istituto Nanoscienze, via Campi 213/A, 41100 Modena (Italy); Dipartimento di Scienze e Metodi dell' Ingegneria, Universita di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42100 Reggio Emilia (Italy); Palummo, Maurizia [European Theoretical Spectroscopy Facility (ETSF) (Italy); CNR-INFM-SMC, Dipartimento di Fisica, Universita di Roma, ' Tor Vergata' , via della Ricerca Scientifica 1, 00133 Roma (Italy); Ossicini, Stefano, E-mail: stefano.ossicini@unimore.it [' Centro S3' , CNR-Istituto Nanoscienze, via Campi 213/A, 41100 Modena (Italy) and Dipartimento di Scienze e Metodi dell' Ingegneria, Universita di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42100 Reggio Emilia (Italy) and European Theoretical Spectroscopy Facility - ETSF (Italy) and Centro Interdipartimentale ' En and Tech' , Universita di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, I-42100 Reggio Emilia (Italy)

2012-06-05

One of the main challenges for Silicon-Germanium nanowires (SiGe NWs) electronics is the possibility to modulate and engine their electronic properties in an easy way, in order to obtain a material with the desired electronic features. Diameter and composition constitute two crucial ways for the modification of the band gap and of the band structure of SiGe NWs. Within the framework of density functional theory we present results of ab initio calculations regarding the band structure dependence of SiGe NWs on diameter and composition. We point out the main differences with respect to the case of pure Si and Ge wires and we discuss the particular features of SiGe NWs that are useful for future technological applications.

Band structure analysis in SiGe nanowires

International Nuclear Information System (INIS)

Amato, Michele; Palummo, Maurizia; Ossicini, Stefano

2012-01-01

One of the main challenges for Silicon-Germanium nanowires (SiGe NWs) electronics is the possibility to modulate and engine their electronic properties in an easy way, in order to obtain a material with the desired electronic features. Diameter and composition constitute two crucial ways for the modification of the band gap and of the band structure of SiGe NWs. Within the framework of density functional theory we present results of ab initio calculations regarding the band structure dependence of SiGe NWs on diameter and composition. We point out the main differences with respect to the case of pure Si and Ge wires and we discuss the particular features of SiGe NWs that are useful for future technological applications.

Electrical and photoelectric properties of Si-based metal–insulator–semiconductor structures with Au nanoparticles at the insulator–semiconductor interface

Energy Technology Data Exchange (ETDEWEB)

Koryazhkina, M. N., E-mail: mahavenok@mail.ru; Tikhov, S. V.; Gorshkov, O. N.; Kasatkin, A. P.; Antonov, I. N. [Lobachevsky State University of Nizhny Novgorod (NNSU) (Russian Federation)

2016-12-15

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

Fermi system with planes and charge reservoir: Anisotropic in-plane resistivity

International Nuclear Information System (INIS)

Levin, G.A.; Quader, K.F.

1992-01-01

The authors explore the normal state in-plane resistivity of a model Fermi system with two planes and a charge reservoir. When the Fermi energy lies near the top of one of the resulting sub-bands, the system can be described by two types of quasiparticle excitations with different energy spectra and relaxation times. They show that for certain stoichiometry, ρ ab is linear in temperature with positive or negative intercepts. A relation between the slopes and intercepts of resistivities in the a and b directions in untwinned crystals is derived. The results are in good agreement with experimental data on YBCO. 7 refs., 1 tab

Effect of single vacancy on the structural, electronic structure and magnetic properties of monolayer graphyne by first-principles

Energy Technology Data Exchange (ETDEWEB)

Yun, Jiangni, E-mail: niniyun@nwu.edu.cn; Zhang, Yanni; Xu, Manzhang; Wang, Keyun; Zhang, Zhiyong

2016-10-01

The effect of single vacancy on the structural, electronic and magnetic properties of monolayer graphyne is investigated by the first-principles calculations. The calculated results reveal that single vacancy can result in the spin polarization in monolayer graphyne and the spin polarization is sensitive to local geometric structure of the vacancy. In the case of monolayer graphyne with one single vacancy at the sp{sup 2} hybridized C site, the vacancy introduces rather weakly spin-polarized, flat bands in the band gap. Due to the localization nature of the defect-induced bands, the magnetic moment is mainly localized at the vacancy site. As for the monolayer graphyne with one single vacancy at the sp hybridized C site, one defect-induced state which is highly split appears in the band gap. The spin-up band of the defect-induced state is highly dispersive and shows considerable delocalization, suggesting that the magnetic moment is dispersed around the vacancy site. The above magnetization in monolayer graphyne with one single vacancy is possibly explained in terms of the valence-bond theory. - Graphical abstract: Calculated band structure of the monolayer graphyne without (a) and with one single vacancy at Vb site (b) and at Vr site(c), respectively. Blue and red lines represent the spin-up and spin-down bands, respectively. For the sake of clarity, the band structure near the Fermi energy is also presented on the right panel. The Fermi level is set to zero on the energy scale. - Highlights: • A Jahn-Teller distortion occurs in monolayer graphyne with single vacancy. • The spin polarization is sensitive to local geometric structure of the vacancy. • Vacancy lying at sp{sup 2} hybridized C site introduces weakly spin-polarized defect bands. • A strong spin splitting occurs when the vacancy lies at sp hybridized C site. • The magnetization is explained in terms of the valence-bond theory.

Sub-band-gap absorption in Ga2O3

Science.gov (United States)

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.

Border Structure of Intercalary Heterochromatin Bands of Drosophila melanogaster Polytene Chromosomes.

Science.gov (United States)

Khoroshko, V A; Zykova, T Yu; Popova, O O; Zhimulev, I F

2018-03-01

The precise genomic localization of the borders of 62 intercalary heterochromatin bands in Drosophila polytene chromosomes was determined. A new type of bands containing chromatin of different states was identified. This type is a combination of the gray band and the intercalary heterochromatin band, creating a genetic structure that with a light microscope is identified as a continuous band. The border structure of such bands includes the coding regions of genes with ubiquitous activity.

The cellular approach to band structure calculations

International Nuclear Information System (INIS)

Verwoerd, W.S.

1982-01-01

A short introduction to the cellular approach in band structure calculations is given. The linear cellular approach and its potantial applicability in surface structure calculations is given some consideration in particular

Bosonic Analogue of Dirac Composite Fermi Liquid

Science.gov (United States)

Mross, David; Alicea, Jason; Motrunich, Olexei

The status of particle-hole symmetry has long posed a challenge to the theory of the quantum Hall effect. It is expected to be present in the half-filled Landau level, but is absent in the conventional field theory, i.e., the composite Fermi liquid. Recently, Son proposed an alternative, explicitly particle-hole symmetric theory which features composite fermions that exhibit a Dirac dispersion. In my talk, I will introduce an analogous particle-hole-symmetric metallic state of bosons at odd-integer filling. This state hosts composite fermions whose energy dispersion features a quadratic band touching and corresponding 2 Ï Berry flux, protected by particle-hole and discrete rotation symmetries. As in the Dirac composite Fermi liquid introduced by Son, breaking particle-hole symmetry recovers the familiar Chern-Simons theory. I will discuss realizations of this phase both in 2D and on bosonic topological insulator surfaces, as well as its signatures in experiments and simulations.

Li induced effects in the core level and π-band electronic structure of graphene grown on C-face SiC

International Nuclear Information System (INIS)

Johansson, Leif I.; Xia, Chao; Virojanadara, Chariya

2015-01-01

Studies of the effects induced in the electronic structure after Li deposition, and subsequent heating, on graphene samples prepared on C-face SiC are reported. The as prepared graphene samples are essentially undoped, but after Li deposition, the Dirac point shifts down to 1.2 eV below the Fermi level due to electron doping. The shape of the C 1s level also indicates a doping concentration of around 10 14  cm −2 after Li deposition, when compared with recent calculated results of core level spectra of graphene. The C 1s, Si 2p, and Li 1s core level results show little intercalation directly after deposition but that most of the Li has intercalated after heating at 280 °C. Heating at higher temperatures leads to desorption of Li from the sample, and at 1030 °C, Li can no longer be detected on the sample. The single π-band observable from multilayer C-face graphene samples in conventional angle resolved photoelectron spectroscopy is reasonably sharp both on the initially prepared sample and after Li deposition. After heating at 280 °C, the π-band appears more diffuse and possibly split. The Dirac point becomes located at 0.4 eV below the Fermi level, which indicates occurrence of a significant reduction in the electron doping concentration. Constant energy photoelectron distribution patterns extracted from the as prepared graphene C-face sample and also after Li deposition and heating at 280 °C look very similar to earlier calculated distribution patterns for monolayer graphene

Li induced effects in the core level and π-band electronic structure of graphene grown on C-face SiC

Energy Technology Data Exchange (ETDEWEB)

Johansson, Leif I., E-mail: lij@ifm.liu.se; Xia, Chao; Virojanadara, Chariya [Department of Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden)

2015-11-15

Studies of the effects induced in the electronic structure after Li deposition, and subsequent heating, on graphene samples prepared on C-face SiC are reported. The as prepared graphene samples are essentially undoped, but after Li deposition, the Dirac point shifts down to 1.2 eV below the Fermi level due to electron doping. The shape of the C 1s level also indicates a doping concentration of around 10{sup 14 }cm{sup −2} after Li deposition, when compared with recent calculated results of core level spectra of graphene. The C 1s, Si 2p, and Li 1s core level results show little intercalation directly after deposition but that most of the Li has intercalated after heating at 280 °C. Heating at higher temperatures leads to desorption of Li from the sample, and at 1030 °C, Li can no longer be detected on the sample. The single π-band observable from multilayer C-face graphene samples in conventional angle resolved photoelectron spectroscopy is reasonably sharp both on the initially prepared sample and after Li deposition. After heating at 280 °C, the π-band appears more diffuse and possibly split. The Dirac point becomes located at 0.4 eV below the Fermi level, which indicates occurrence of a significant reduction in the electron doping concentration. Constant energy photoelectron distribution patterns extracted from the as prepared graphene C-face sample and also after Li deposition and heating at 280 °C look very similar to earlier calculated distribution patterns for monolayer graphene.

Electronic structure in high temperature superconducting oxides

International Nuclear Information System (INIS)

Howell, R.H.; Sterne, P.; Solal, F.; Fluss, M.J.; Tobin, J.; O'Brien, J.; Radousky, H.B.; Haghighi, H.; Kaiser, J.H.; Rayner, S.L.; West, R.N.; Liu, J.Z.; Shelton, R.; Olsen, C.G.; Gu, C.; Kitazawa, K.; Kojima, H.

1991-01-01

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

Electronic structure of palladium and its relation to uv spectroscopy

DEFF Research Database (Denmark)

Christensen, N.E.

1976-01-01

The electronic-energy-band structure of palladium has been calculated by means of the relativistic augmented-plane-wave method covering energies up to 30 eV above the Fermi level. The optical interband transitions producing structure in the dielectric function up to photon energies of 25 eV have ...

Electronic structure of ZrX2 (X = Se, Te)

Science.gov (United States)

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

2018-03-01

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

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

Science.gov (United States)

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.

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

International Nuclear Information System (INIS)

Varberg, T.D.; Field, R.W.; Merer, A.J.

1990-01-01

Sub-Doppler spectra of the A 7 Π--X 7 Σ + (0,0) band of gas phase MnH near 5680 A were recorded by intermodulated fluorescence spectroscopy. The spectra reveal hyperfine splittings arising from both the 55 Mn and 1 H nuclear spins. Internal hyperfine perturbations have been observed between the different spin components of the ground state at low N double-prime. From a preliminary analysis of several rotational lines originating from the isolated and unperturbed F 1 (J double-prime=3) spin component of the X 7 Σ + (N double-prime=0) level, the 55 Mn Fermi contact interaction in the ground state has been measured as b F =A iso =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

Tunneling dynamics of superfluid Fermi gases in an accelerating optical lattice

International Nuclear Information System (INIS)

Tie Lu; Xue Jukui

2010-01-01

The nonlinear Landau-Zener tunneling and the nonlinear Rabi oscillations of superfluid Fermi gases between Bloch bands in an accelerating optical lattice are discussed. Within the hydrodynamic theory and a two-level model, the tunneling probability of superfluid Fermi gases between Bloch bands is obtained. We find that, as the system crosses from the Bose-Einstein condensation (BEC) side to the BCS side, the tunneling rate is closely related to the particle density: when the density is smaller (larger) than a critical value, the tunneling rate at unitarity is larger (smaller) than that in the BEC limit. This is well explained in terms of an effective interaction and an effective potential. Furthermore, the nonlinear Rabi oscillations of superfluid Fermi gases between the bands are discussed by imposing a periodic modulation on the level bias and the strength of the lattice. Analytical expressions of the critical density for suppressing or enhancing the Rabi oscillations are obtained. It is shown that, as the system crosses from the BEC side to the BCS side, the critical density strongly depends on the modulation parameters (i.e., the modulation amplitude and the modulation frequency). For a fixed density, a high-frequency or low-frequency modulation can suppress or enhance the Rabi oscillations both at unitarity and in the BEC limit. For an intermediate modulation frequency, the Rabi oscillations are chaotic along the entire BEC-BCS crossover, especially, on the BCS side. Interestingly, we find that the modulation of the lattice strength only with an intermediate modulation frequency has significant effect on the Rabi oscillations both in the BEC limit and at unitarity; that is, an intermediate-frequency modulation can enhance the Rabi oscillations, especially on the BCS side.

Electronic structure of the half-metallic ferromagnet KCrSe2

NARCIS (Netherlands)

Dijkstra, J.; van Bruggen, Christiaan; Haas, C.; Groot, R.A. de

1989-01-01

The electronic structure of the layered compound KCrSe2 in the ferromagnetic spin arrangement is calculated using the augmented-spherical-wave method. For the minority-spin direction the Fermi level lies in a 1.34-eV-wide gap between the bottom of the Cr 3d ↓ band and the Se 4p ↓ band, while for the

Kinks in the σ Band of Graphene Induced by Electron-Phonon Coupling

DEFF Research Database (Denmark)

Mazzola, Federico; Wells, Justin; Yakimova, Rosita

2013-01-01

Angle-resolved photoemission spectroscopy reveals pronounced kinks in the dispersion of the band of graphene. Such kinks are usually caused by the combination of a strong electron-boson interaction and the cutoff in the Fermi-Dirac distribution. They are therefore not expected for the band...... of graphene that has a binding energy of more than 3:5 eV. We argue that the observed kinks are indeed caused by the electron-phonon interaction, but the role of the Fermi-Dirac distribution cutoff is assumed by a cutoff in the density of states. The existence of the effect suggests a very weak coupling...

Electronic band structure

International Nuclear Information System (INIS)

Grosso, G.

1986-01-01

The aim of this chapter is to present, in detail, some theoretical methods used to calculate electronic band structures in crystals. The basic strategies employed to attack the problem of electronic-structure calculations are presented. Successive sections present the basic formulations of the tight-binding, orthogonalized-plane-wave, Green'sfunction, and pseudopotential methods with a discussion of their application to perfect solids. Exemplifications in the case of a few selected problems provide further insight by the author into the physical aspects of the different methods and are a guide to the use of their mathematical techniques. A discussion is offered of completely a priori Hartree-Fock calculations and attempts to extend them. Special aspects of the different methods are also discussed in light of recently published related work

Quasi-two-dimensional Fermi-liquid state in Sr2RhO4-δ

International Nuclear Information System (INIS)

Nagai, Ichiro; Shirakawa, Naoki; Umeyama, Norio; Ikeda, Shin-ichi

2010-01-01

Single crystals of layered perovskite Sr 2 RhO 4-δ (δ=0.0 and 0.1) are successfully grown by the floating-zone method. Stoichiometric single crystals (Sr 2 RhO 4.0 ) are obtained by O 2 -annealing the as-grown crystals (Sr 2 RhO 3.9 ). Sr 2 RhO 4.0 and Sr 2 RhO 3.9 show quasi-two-dimensional Fermi-liquid behavior at low temperatures, whereas there are large differences in the anisotropy of electrical resistivity ρ c (3 K)/ρ ab (3 K) and Wilson ratio R w between Sr 2 RhO 4.0 and Sr 2 RhO 3.9 : ρ c (3 K)/ρ ab (3 K)=2400 (19000) and R w =3.8 (6.4) for Sr 2 RhO 4.0 (Sr 2 RhO 3.9 ). The differences observed between the temperature dependence of the in-plane electrical resistivity (T 2 RhO 4.0 and Sr 2 RhO 3.9 are mainly derived from those between the density of states and band structure near the corresponding Fermi level. This indicates that the changes in these physical properties, which are accompanied by oxygen defects in the Sr 2 RhO 4-δ system, can be explained by the rigid band model. Moreover, these results suggest that t 2g band-filling can be controlled by adjusting the oxygen defect content δ in the Sr 2 RhO 4-δ system. Although many similarities are observed in this study between the physical properties of Sr 2 RhO 4.0 and Sr 2 RuO 4 . Sr 2 RhO 4.0 does not exhibit superconductivity down to 36 mK. (author)

Novel structural flexibility identification in narrow frequency bands

International Nuclear Information System (INIS)

Zhang, J; Moon, F L

2012-01-01

A ‘Sub-PolyMAX’ method is proposed in this paper not only for estimating modal parameters, but also for identifying structural flexibility by processing the impact test data in narrow frequency bands. The traditional PolyMAX method obtains denominator polynomial coefficients by minimizing the least square (LS) errors of frequency response function (FRF) estimates over the whole frequency range, but FRF peaks in different structural modes may have different levels of magnitude, which leads to the modal parameters identified for the modes with small FRF peaks being inaccurate. In contrast, the proposed Sub-PolyMAX method implements the LS solver in each subspace of the whole frequency range separately; thus the results identified from a narrow frequency band are not affected by FRF data in other frequency bands. In performing structural identification in narrow frequency bands, not in the whole frequency space, the proposed method has the following merits: (1) it produces accurate modal parameters, even for the modes with very small FRF peaks; (2) it significantly reduces computation cost by reducing the number of frequency lines and the model order in each LS implementation; (3) it accurately identifies structural flexibility from impact test data, from which structural deflection under any static load can be predicted. Numerical and laboratory examples are investigated to verify the effectiveness of the proposed method. (paper)

Optimum design of band-gap beam structures

DEFF Research Database (Denmark)

Olhoff, Niels; Niu, Bin; Cheng, Gengdong

2012-01-01

The design of band-gap structures receives increasing attention for many applications in mitigation of undesirable vibration and noise emission levels. A band-gap structure usually consists of a periodic distribution of elastic materials or segments, where the propagation of waves is impeded...... or significantly suppressed for a range of external excitation frequencies. Maximization of the band-gap is therefore an obvious objective for optimum design. This problem is sometimes formulated by optimizing a parameterized design model which assumes multiple periodicity in the design. However, it is shown...... in the present paper that such an a priori assumption is not necessary since, in general, just the maximization of the gap between two consecutive natural frequencies leads to significant design periodicity. The aim of this paper is to maximize frequency gaps by shape optimization of transversely vibrating...

Reconstructing the energy band electronic structure of pulsed laser deposited CZTS thin films intended for solar cell absorber applications

Science.gov (United States)

Pandiyan, Rajesh; Oulad Elhmaidi, Zakaria; Sekkat, Zouheir; Abd-lefdil, Mohammed; El Khakani, My Ali

2017-02-01

We report here on the use of pulsed KrF-laser deposition (PLD) technique for the growth of high-quality Cu2ZnSnS4 (CZTS) thin films onto Si, and glass substrates without resorting to any post sulfurization process. The PLD-CZTS films were deposited at room temperature (RT) and then subjected to post annealing at different temperatures ranging from 200 to 500 °C in Argon atmosphere. The X-ray diffraction and Raman spectroscopy confirmed that the PLD films crystallize in the characteristic kesterite CZTS structure regardless of their annealing temperature (Ta), but their crystallinity is much improved for Ta ≥ 400 °C. The PLD-CZTS films were found to exhibit a relatively dense morphology with a surface roughness (RMS) that increases with Ta (from ∼14 nm at RT to 70 nm at Ta = 500 °C with a value around 40 nm for Ta = 300-400 °C). The optical bandgap of the PLD-CZTS films, was derived from UV-vis transmission spectra analysis, and found to decrease from 1.73 eV for non-annealed films to ∼1.58 eV for those annealed at Ta = 300 °C. These band gap values are very close to the optimum value needed for an ideal solar cell absorber. In order to achieve a complete reconstruction of the one-dimensional energy band structure of these PLD-CZTS absorbers, we have combined both XPS and UPS spectroscopies to determine their chemical bondings, the position of their valence band maximum (relative to Fermi level), and their work function values. This enabled us to sketch out, as accurately as possible, the band alignment of the heterojunction interface formed between CZTS and both CdS and ZnS buffer layer materials.

Structural classification and a binary structure model for superconductors

Institute of Scientific and Technical Information of China (English)

Dong Cheng

2006-01-01

Based on structural and bonding features, a new classification scheme of superconductors is proposed to classify conductors can be partitioned into two parts, a superconducting active component and a supplementary component.Partially metallic covalent bonding is found to be a common feature in all superconducting active components, and the electron states of the atoms in the active components usually make a dominant contribution to the energy band near the Fermi surface. Possible directions to explore new superconductors are discussed based on the structural classification and the binary structure model.

Phononic band gap structures as optimal designs

DEFF Research Database (Denmark)

Jensen, Jakob Søndergaard; Sigmund, Ole

2003-01-01

In this paper we use topology optimization to design phononic band gap structures. We consider 2D structures subjected to periodic loading and obtain the distribution of two materials with high contrast in material properties that gives the minimal vibrational response of the structure. Both in...

Fulde–Ferrell superfluids in spinless ultracold Fermi gases

Science.gov (United States)

Zheng, Zhen-Fei; Guo, Guang-Can; Zheng, Zhen; Zou, Xu-Bo

2018-06-01

The Fulde–Ferrell (FF) superfluid phase, in which fermions form finite momentum Cooper pairings, is well studied in spin-singlet superfluids in past decades. Different from previous works that engineer the FF state in spinful cold atoms, we show that the FF state can emerge in spinless Fermi gases confined in optical lattice associated with nearest-neighbor interactions. The mechanism of the spinless FF state relies on the split Fermi surfaces by tuning the chemistry potential, which naturally gives rise to finite momentum Cooper pairings. The phase transition is accompanied by changed Chern numbers, in which, different from the conventional picture, the band gap does not close. By beyond-mean-field calculations, we find the finite momentum pairing is more robust, yielding the system promising for maintaining the FF state at finite temperature. Finally we present the possible realization and detection scheme of the spinless FF state.

Design of an X-band accelerating structure using a newly developed structural optimization procedure

Energy Technology Data Exchange (ETDEWEB)

Huang, Xiaoxia [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Fang, Wencheng; Gu, Qiang [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Zhao, Zhentang, E-mail: zhaozhentang@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); University of Chinese Academy of Sciences, Beijing 100049 (China)

2017-05-11

An X-band high gradient accelerating structure is a challenging technology for implementation in advanced electron linear accelerator facilities. The present work discusses the design of an X-band accelerating structure for dedicated application to a compact hard X-ray free electron laser facility at the Shanghai Institute of Applied Physics, and numerous design optimizations are conducted with consideration for radio frequency (RF) breakdown, RF efficiency, short-range wakefields, and dipole/quadrupole field modes, to ensure good beam quality and a high accelerating gradient. The designed X-band accelerating structure is a constant gradient structure with a 4π/5 operating mode and input and output dual-feed couplers in a racetrack shape. The design process employs a newly developed effective optimization procedure for optimization of the X-band accelerating structure. In addition, the specific design of couplers providing high beam quality by eliminating dipole field components and reducing quadrupole field components is discussed in detail.

Subband structure comparison between n- and p- type double delta-doped Ga As quantum wells

International Nuclear Information System (INIS)

Rodriguez V, I.; Gaggero S, L.M.

2004-01-01

We compute the electron level structure (n-type) and the hole subband structure (p-type) of double -doped GaAs (DDD) quantum wells, considering exchange effects. The Thomas-Fermi (TF), and Thomas-Fermi-Dirac (TFD) approximations have been applied in order to describe the bending of the conduction and valence band, respectively. The electron and the hole subband structure study indicates that exchange effects are more important in p-type DDD quantum wells than in n-type DDD Also our results agree with the experimental data available. (Author) 33 refs., 2 tabs., 5 figs

Structure and optical band gaps of (Ba,Sr)SnO{sub 3} films grown by molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Schumann, Timo; Raghavan, Santosh; Ahadi, Kaveh; Kim, Honggyu; Stemmer, Susanne, E-mail: stemmer@mrl.ucsb.edu [Materials Department, University of California, Santa Barbara, California 93106-5050 (United States)

2016-09-15

Epitaxial growth of (Ba{sub x}Sr{sub 1−x})SnO{sub 3} films with 0 ≤ x ≤ 1 using molecular beam epitaxy is reported. It is shown that SrSnO{sub 3} films can be grown coherently strained on closely lattice and symmetry matched PrScO{sub 3} substrates. The evolution of the optical band gap as a function of composition is determined by spectroscopic ellipsometry. The direct band gap monotonously decreases with x from to 4.46 eV (x = 0) to 3.36 eV (x = 1). A large Burnstein-Moss shift is observed with La-doping of BaSnO{sub 3} films. The shift corresponds approximately to the increase in Fermi level and is consistent with the low conduction band mass.

THE FIRST FERMI-LAT GAMMA-RAY BURST CATALOG

Energy Technology Data Exchange (ETDEWEB)

Ackermann, M. [Deutsches Elektronen Synchrotron DESY, D-15738 Zeuthen (Germany); Ajello, M. [Space Sciences Laboratory, 7 Gauss Way, University of California, Berkeley, CA 94720-7450 (United States); Asano, K. [Interactive Research Center of Science, Tokyo Institute of Technology, Meguro City, Tokyo 152-8551 (Japan); Axelsson, M. [Department of Astronomy, Stockholm University, SE-106 91 Stockholm (Sweden); Baldini, L. [Università di Pisa and Istituto Nazionale di Fisica Nucleare, Sezione di Pisa I-56127 Pisa (Italy); Ballet, J. [Laboratoire AIM, CEA-IRFU/CNRS/Université Paris Diderot, Service d' Astrophysique, CEA Saclay, 91191 Gif sur Yvette (France); Barbiellini, G. [Istituto Nazionale di Fisica Nucleare, Sezione di Trieste, I-34127 Trieste (Italy); Bastieri, D. [Istituto Nazionale di Fisica Nucleare, Sezione di Padova, I-35131 Padova (Italy); Bechtol, K.; Bloom, E. D. [W. W. Hansen Experimental Physics Laboratory, Kavli Institute for Particle Astrophysics and Cosmology, Department of Physics and SLAC National Accelerator Laboratory, Stanford University, Stanford, CA 94305 (United States); Bellazzini, R.; Bregeon, J. [Istituto Nazionale di Fisica Nucleare, Sezione di Pisa, I-56127 Pisa (Italy); Bhat, P. N. [Center for Space Plasma and Aeronomic Research (CSPAR), University of Alabama in Huntsville, Huntsville, AL 35899 (United States); Bissaldi, E. [Institut für Astro- und Teilchenphysik and Institut für Theoretische Physik, Leopold-Franzens-Universität Innsbruck, A-6020 Innsbruck (Austria); Bonamente, E. [Istituto Nazionale di Fisica Nucleare, Sezione di Perugia, I-06123 Perugia (Italy); Bonnell, J.; Brandt, T. J. [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Bouvier, A., E-mail: nicola.omodei@stanford.edu, E-mail: giacomov@slac.stanford.edu [Santa Cruz Institute for Particle Physics, Department of Physics and Department of Astronomy and Astrophysics, University of California at Santa Cruz, Santa Cruz, CA 95064 (United States); and others

2013-11-01

In three years of observations since the beginning of nominal science operations in 2008 August, the Large Area Telescope (LAT) on board the Fermi Gamma-Ray Space Telescope has observed high-energy (∼> 20 MeV) γ-ray emission from 35 gamma-ray bursts (GRBs). Among these, 28 GRBs have been detected above 100 MeV and 7 GRBs above ∼20 MeV. The first Fermi-LAT catalog of GRBs is a compilation of these detections and provides a systematic study of high-energy emission from GRBs for the first time. To generate the catalog, we examined 733 GRBs detected by the Gamma-Ray Burst Monitor (GBM) on Fermi and processed each of them using the same analysis sequence. Details of the methodology followed by the LAT collaboration for the GRB analysis are provided. We summarize the temporal and spectral properties of the LAT-detected GRBs. We also discuss characteristics of LAT-detected emission such as its delayed onset and longer duration compared with emission detected by the GBM, its power-law temporal decay at late times, and the fact that it is dominated by a power-law spectral component that appears in addition to the usual Band model.

The First FERMI-LAT Gamma-Ray Burst Catalog

Science.gov (United States)

Ackermann, M.; Ajello, M.; Asano, K.; Axelsson, M.; Baldini, L.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Bechtol, K.; Bellazzini, R.;

THE FIRST FERMI-LAT GAMMA-RAY BURST CATALOG

International Nuclear Information System (INIS)

Ackermann, M.; Ajello, M.; Asano, K.; Axelsson, M.; Baldini, L.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Bechtol, K.; Bloom, E. D.; Bellazzini, R.; Bregeon, J.; Bhat, P. N.; Bissaldi, E.; Bonamente, E.; Bonnell, J.; Brandt, T. J.; Bouvier, A.

2013-01-01

In three years of observations since the beginning of nominal science operations in 2008 August, the Large Area Telescope (LAT) on board the Fermi Gamma-Ray Space Telescope has observed high-energy (∼> 20 MeV) γ-ray emission from 35 gamma-ray bursts (GRBs). Among these, 28 GRBs have been detected above 100 MeV and 7 GRBs above ∼20 MeV. The first Fermi-LAT catalog of GRBs is a compilation of these detections and provides a systematic study of high-energy emission from GRBs for the first time. To generate the catalog, we examined 733 GRBs detected by the Gamma-Ray Burst Monitor (GBM) on Fermi and processed each of them using the same analysis sequence. Details of the methodology followed by the LAT collaboration for the GRB analysis are provided. We summarize the temporal and spectral properties of the LAT-detected GRBs. We also discuss characteristics of LAT-detected emission such as its delayed onset and longer duration compared with emission detected by the GBM, its power-law temporal decay at late times, and the fact that it is dominated by a power-law spectral component that appears in addition to the usual Band model

γ-Rays Radiation of High Redshift Fermi Blazars WG Liu1, SH Fu2 ...

Indian Academy of Sciences (India)

FSRQs), which is from the second Fermi-LAT AGNs catalogue. (2LAC), we studied the correlation between flux densities (FR,FK,Fγ ) in the radio, infrared and γ-ray wave bands. We found that there is a significant positive correlation between Fγ ...

Split Fermi Surfaces of the Spin-Orbit-Coupled Metal Cd2Re2O7 Probed by de Haas-van Alphen Effect

Science.gov (United States)

Matsubayashi, Yasuhito; Sugii, Kaori; Hirose, Hishiro T.; Hirai, Daigorou; Sugiura, Shiori; Terashima, Taichi; Uji, Shinya; Hiroi, Zenji

2018-05-01

The superconducting pyrochlore oxide Cd2Re2O7 shows a structural transition with inversion symmetry breaking (ISB) at Ts1 = 200 K. A recent theory [https://doi.org/10.1103/PhysRevLett.115.026401" xlink:type="simple">L. Fu, Phys. Rev. Lett. 115, 026401 (2015)] suggests that the origin is an electronic instability that leads to a multipolar order in the spin-orbit-coupled metal. To observe the Fermi surface of the low-temperature phase of Cd2Re2O7, we perform de Haas-van Alphen effect measurements by means of magnetic torque. In reference to a calculated band structure, the spin-split Fermi surfaces with large cyclotron masses of 5-9m0 are revealed. The splitting is suggested to be due to an antisymmetric spin-orbit coupling induced by ISB, the strength of which is estimated to be approximately 67 K, which is rather smaller than those of typical non-centrosymmetric metals.

Orbital approach to the electronic structure of solids

CERN Document Server

Canadell, Enric; Iung, Christophe

2012-01-01

This book provides an intuitive yet sound understanding of how structure and properties of solids may be related. The natural link is provided by the band theory approach to the electronic structure of solids. The chemically insightful concept of orbital interaction and the essential machinery of band theory are used throughout the book to build links between the crystal and electronic structure of periodic systems. In such a way, it is shown how important tools for understandingproperties of solids like the density of states, the Fermi surface etc. can be qualitatively sketched and used to ei

Location of the valence band maximum in the band structure of anisotropic 1 T'-ReSe2

Science.gov (United States)

Eickholt, P.; Noky, J.; Schwier, E. F.; Shimada, K.; Miyamoto, K.; Okuda, T.; Datzer, C.; Drüppel, M.; Krüger, P.; Rohlfing, M.; Donath, M.

2018-04-01

Transition-metal dichalcogenides (TMDCs) are a focus of current research due to their fascinating optical and electronic properties with possible technical applications. ReSe2 is an interesting material of the TMDC family, with unique anisotropic properties originating from its distorted 1 T structure (1 T '). To develop a fundamental understanding of the optical and electric properties, we studied the underlying electronic structure with angle-resolved photoemission (ARPES) as well as band-structure calculations within the density functional theory (DFT)-local density approximation (LDA) and GdW approximations. We identified the Γ ¯M¯1 direction, which is perpendicular to the a axis, as a distinct direction in k space with the smallest bandwidth of the highest valence band. Using photon-energy-dependent ARPES, two valence band maxima are identified within experimental limits of about 50 meV: one at the high-symmetry point Z , and a second one at a non-high-symmetry point in the Brillouin zone. Thus, the position in k space of the global valence band maximum is undecided experimentally. Theoretically, an indirect band gap is predicted on a DFT-LDA level, while quasiparticle corrections lead to a direct band gap at the Z point.

Electronic structure and thermoelectricity of filled skutterudite CeRu{sub 4}Sb{sub 12}

Energy Technology Data Exchange (ETDEWEB)

Shankar, A., E-mail: amitshan2009@gmail.com [Department of Physics, University of North Bengal, Darjeeling, 734013 (India); Rai, D.P. [Department of Physics, Pachhunga University College, Aizawl, 796001 (India); Sandeep [Condensed Matter Theory Research Group, Department of Physics, Mizoram University, Aizawl, 796004 (India); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, 29000 (Algeria); Thapa, R.K. [Condensed Matter Theory Research Group, Department of Physics, Mizoram University, Aizawl, 796004 (India); Mandal, P.K. [Department of Physics, University of North Bengal, Darjeeling, 734013 (India)

2016-07-05

First-principles calculations of the energy band structure and density of states of filled skutterudite CeRu{sub 4}Sb{sub 12} have been performed to understand the origin of thermoelectricity. The calculations are carried out using the full potential linear augmented plane wave (FP-LAPW) method within a framework of LDA approach. CeRu{sub 4}Sb{sub 12} is a metal with bands crossing Fermi energy level more than twice with indirect energy band gap of ∼0.09 eV above the Fermi energy level. The study of the elastic properties suggests the ductile nature of the material with covalent contribution in the atomic bonding. Our calculations performed for the density of electronic states near the Fermi energy level show that the large thermo-power at room temperature originates from the hybridized Ru-d and Sb-p orbitals. The study of the thermal transport properties suggests the high value of Seebeck coefficient with figure of merit (ZT) = 0.12, which is consistent to the values obtained for the analogous compounds. - Highlights: • CeRu{sub 4}Sb{sub 12} is ductile material with covalent contribution in bonding. • An indirect energy bandgap of 0.09 eV is present above the Fermi energy level. • The crossing of E{sub F} by the energy bands increases the number of DOS at E{sub F}. • Fermi level is situated within the valence region. • The thermal efficiency of the material is 0.12 at room temperature.

E Fermi

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education. E Fermi. Articles written in Resonance – Journal of Science Education. Volume 19 Issue 1 January 2014 pp 82-96 Classics. Quantization of an Ideal Monoatomic Gas · E Fermi · More Details Fulltext PDF ...

A search for neutrino emission from the Fermi bubbles with the ANTARES telescope

NARCIS (Netherlands)

Adrian-Martinez, S.; Albert, A.; Al Samarai, I.; Andre, M.; Anton, G.; Anvar, S.; Ardid, M.; Astraatmadja, T.; Aubert, J.J.; Baret, B.; Barrios-Marti, J.; Basa, S.; Bertin, V.; Biagi, S.; Bigongiari, C.; Bogazzi, C.; Bouhou, B.; Bouwhuis, M.; Brunner, J.; Busto, J.; Capone, A.; Caramete, L.; Carloganu, C.; Carr, J.; Cecchini, S.; Charif, Z.; Charvis, P.; Chiarusi, T.; Circella, M.; Classen, F.; Coniglione, R.; Core, L.; Costantini, H.; Coyle, P.; Creusot, A.; Curtil, C.; De Bonis, G.; Dekeyser, I.; Deschamps, A.; Donzaud, C.; Dornic, D.; Dorosti, Q.; Drouhin, D.; Dumas, A.; Eberl, T.; Emanuele, U.; Enzenhofer, A.; Ernenwein, J.P.; Escoffier, S.; Fehn, K.; Fermani, P.; Flaminio, V.; Folger, F.; Fritsch, U.; Fusco, L.; Galata, S.; Gay, P.; Geisselsoder, S.; Geyer, K.; Giacomelli, G.; Giordano, V.; Gleixner, A.; Gomez-Gonzalez, J.P.; Graf, K.; Guillard, G.; van Haren, H.; Heijboer, A.; Hello, Y.; Hernandez-Rey, J.; Herold, B.; Hossl, J.; Hugon, C.; James, C.; de Jong, M.; Kadler, M.; Kalekin, O.; Kappes, A.; Katz, U.; Kooijman, P.; Kouchner, A.; Kreykenbohm, I.; Kulikovskiy, V.; Lahmann, R.; Lambard, E.; Lambard, G.; Larosa, G.; Lattuada, D.; Lefevre, D.; Leonora, E.; Lo Presti, D.; Loehner, H.; Loucatos, S.; Louis, F.; Mangano, S.; Marcelin, M.; Margiotta, A.; Martinez-Mora, J.; Martini, S.; Michael, T.; Montaruli, T.; Morganti, M.; Muller, C.; Neff, M.; Nezri, E.; Palioselitis, D.; Pavalas, G.E.; Perrina, C.; Popa, V.; Pradier, T.; Racca, C.; Riccobene, G.; Richter, R.; Riviere, C.; Robert, A.; Roensch, K.; Rostovtsev, A.; Samtleben, D.; Sanguineti, M.; Sapienza, P.; Schmid, J.; Schnabel, J.; Schulte, S.; Schussler, F.; Seitz, T.; Shanidze, R.; Sieger, C.; Simeone, F.; Spies, A.; Spurio, M.; Steijger, J.; Stolarczyk, T.; Sanchez-Losa, A.; Taiuti, M.; Tamburini, C.; Tayalati, Y.; Trovato, A.; Vallage, B.; Vallee, C.; Van Elewyck, V.; Vecchi, M.; Vernin, P.; Visser, E.; Wagner, S.; Wilms, J.; de Wolf, E.; Yatkin, K.; Yepes, H.; Zornoza, J.; Zuniga, J.; the ANTARES Collaboration

2014-01-01

Analysis of the Fermi-LAT data has revealed two extended structures above and below the Galactic Centre emitting gamma rays with a hard spectrum, the so-called Fermi bubbles. Hadronic models attempting to explain the origin of the Fermi bubbles predict the emission of high-energy neutrinos and gamma

Preparing a highly degenerate Fermi gas in an optical lattice

International Nuclear Information System (INIS)

Williams, J. R.; Huckans, J. H.; Stites, R. W.; Hazlett, E. L.; O'Hara, K. M.

2010-01-01

We propose a method to prepare fermionic atoms in a three-dimensional optical lattice at unprecedentedly low temperatures and uniform filling factors. The process involves adiabatic loading of degenerate atoms into multiple energy bands of an optical lattice followed by a filtering stage whereby atoms from all but the lowest band are removed. Of critical importance is the use of a nonharmonic trapping potential to provide external confinement for the atoms. For realistic experimental parameters, this procedure will produce a Fermi gas in a lattice with a reduced temperature T/T F ∼0.003 and an entropy per particle of s∼0.02 k B .

Band structure of superlattice with δ-like potential

International Nuclear Information System (INIS)

Gashimzade, N.F.; Gashimzade, F.M.; Hajiev, A.T.

1993-08-01

Band structure of superlattice with δ-like potential has been calculated taking into account interaction of carriers of different kinds. Superlattices of semiconductors with degenerated valence band and zero-gap semiconductors have been considered. For the latter semimetal-semiconductor transition has been obtained. (author). 8 refs, 1 fig

Positron annihilation study on the Fermi surface of Cd-Mg alloys

International Nuclear Information System (INIS)

Koike, Shu-ichi; Hirabayashi, Makoto; Suzuki, Toshiharu; Hasegawa, Masayuki.

1979-01-01

Angular correlation measurements of annihilation photons have been made on single crystals of the Cd-Mg alloys over all compositions. It is found that the Fermi surfaces of the alloys in the Cd-rich region distort considerably from a free-electron sphere; the 3rd band ''stars'' and the 4th band horizontal ''cigars'' around the points L do not exist in Cd, and appear at 10 at % Mg accompanying an appreciable decrease of the energy gap at L. It is proposed that changes in the 4d core states cause the sudden decrease of the energy gap. (author)

Dynamic structure factor of the normal Fermi gas from the collisionless to the hydrodynamic regime

International Nuclear Information System (INIS)

Watabe, Shohei; Nikuni, Tetsuro

2010-01-01

The dynamic structure factor of a normal Fermi gas is investigated by using the moment method for the Boltzmann equation. We determine the spectral function at finite temperatures over the full range of crossover from the collisionless regime to the hydrodynamic regime. We find that the Brillouin peak in the dynamic structure factor exhibits a smooth crossover from zero to first sound as functions of temperature and interaction strength. The dynamic structure factor obtained using the moment method also exhibits a definite Rayleigh peak (ω∼0), which is a characteristic of the hydrodynamic regime. We compare the dynamic structure factor obtained by the moment method with that obtained from the hydrodynamic equations.

Band structural properties of MoS2 (molybdenite)

International Nuclear Information System (INIS)

Gupta, V.P.

1980-01-01

Semiconductivity and superconductivity in MoS 2 (molybdenite) can be understood in terms of the band structure of MoS 2 . The band structural properties of MoS 2 are presented here. The energy dependence of nsub(eff) and epsilon(infinity)sub(eff) is investigated. Using calculated values of nsub(eff) and epsilon(infinity)sub(eff), the Penn gap has been determined. The value thus obtained is shown to be in good agreement with the reflectivity data and also with the value obtained from the band structure. The Ravindra and Srivastava formula has been shown to give values for the isobaric temperature gradient of Esub(G)[(deltaEsub(G)/deltaT)sub(P)], which are in agreement with the experimental data, and the contribution to (deltaEsub(G)/deltaT)sub(P) due to the electron lattice interaction has been evaluated. In addition, the electronic polarizability has been calculated using a modified Lorentz-Lorenz relation. (author)

Enrico Fermi exhibition at CERN

CERN Multimedia

2002-01-01

A touring exhibition celebrating the centenary of Enrico Fermi's birth in 1901 will be on display at CERN (Main Building, Mezzanine) from 12-27 September. You are cordially invited to the opening celebration on Thursday 12 September at 16:00 (Main Building, Council Chamber), which will include speechs from: Luciano Maiani Welcome and Introduction Arnaldo Stefanini Celebrating Fermi's Centenary in Documents and Pictures Antonino Zichichi The New 'Centro Enrico Fermi' at Via Panisperna Ugo Amaldi Fermi at Via Panisperna and the birth of Nuclear Medicine Jack Steinberger Fermi in Chicago Valentin Telegdi A Close-up of Fermi and the screening of a documentary video about Fermi: Scienziati a Pisa: Enrico Fermi (Scientists at Pisa: Enrico Fermi) created by Francesco Andreotti for La Limonaia from early film, photographs and sound recordings (In Italian, with English subtitles - c. 30 mins). This will be followed by an aperitif on the Mezz...

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

Science.gov (United States)

Das, Arkaprava; Singh, Fouran

2018-04-01

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

Fermi surface deformation in a simple iron-based superconductor, FeSe

Science.gov (United States)

Coldea, Amalia; Watson, Matthew; Kim, Timur; Haghighirad, Amir; McCollam, Alix; Hoesch, Moritz; Schofield, Andrew

2015-03-01

One of the outstanding problems in the field superconductivity is the identification of the normal state out of which superconductivity emerges. FeSe is one of the simplest and most intriguing iron-based superconductors, since in its bulk form it undergoes a structural transition before it becomes superconducting, whereas its single-layer form is believed to be a high-temperature superconductor. The nature of the structural transition, occurring in the absence of static magnetism, is rather unusual and how the electronic structure is stabilized by breaking of the rotational symmetry is the key to understand the superconductivity in bulk FeSe. Here we report angle-resolved photoemission spectroscopy measurements on FeSe that gives direct access to the band structure and orbital-dependent effects. We complement our studies on bulk FeSe with low-temperature angular-dependent quantum oscillation measurements using applied magnetic fields that are sufficiently strong to suppress superconductivity and reach the normal state. These studies reveal a strong deformation of Fermi surface through the structural transition driven by electronic correlations and orbital-dependent effects. . This work was supported by EPSRC, UK (EP/I004475/1), Diamond Light Source, UK and HFML, Nijmegen.

Ab-initio electronic band structure calculations for beryllium chalcogenides

International Nuclear Information System (INIS)

Kalpana, G.; Pari, G.; Yousuf, Mohammad

1997-01-01

The first principle tight-binding linear muffin-tin orbital method within the local density approximation (LDA) has been used to calculate the ground state properties, structural phase transition and pressure dependence of band gap of BeS, BeSe and BeTe. We have calculated the energy-volume relations for these compounds in the B3 and B8 phases. The calculated lattice parameters, bulk modulus and the pressure-volume relation were found to be in good agreement with the recent experimental results. The calculated B3→B8 structural transition pressure for BeS, BeSe and BeTe agree well with the recent experimental results. Our calculations show that these compounds are indirect band gap (Γ-X) semiconductors at ambient conditions. The calculated band gap values are found to be underestimated by 20-30% which is due to the usage of LDA. After the structural transition to the B8 phase, BeS continues to be indirect band gap semiconductors and ultimately above 100 GPa it metallises, BeSe and BeTe are metallic at the B3→B8 structural transition. (author)

Positron Annihilation Studies of the Electronic Structure of Selected High-Temperature Cuprate and Organic Superconductors.

Science.gov (United States)

Chan, Lie Ping

The understanding of the electronic structure of the high-T_{c} superconductors could be important for a full theoretical description of the mechanism behind superconductivity in these materials. In this thesis, we present our measurements of the positron -electron momentum distributions of the cuprate superconductors Bi_2Sr_2CaCu _2O_8, Tl _2Ba_2Ca _2Cu_3O_ {10}, and the organic superconductor kappa-(BEDT)_2Cu(NCS) _2. We use the positron Two-dimensional Angular Correlation of Annihilation Radiation technique to make the measurements on single crystals and compare our high-statistics data with band structure calculations to determine the existence and nature of the respective Fermi surfaces. The spectra from unannealed Bi _2Sr_2CaCu _2O_8 exhibit effects of the superlattice modulation in the BiO_2 layers, and a theoretical understanding of the modulation effects on the electronic band structure is required to interpret these spectra. Since the present theory does not consider the modulation, we have developed a technique to remove the modulation effects from our spectra, and the resultant data when compared with the positron -electron momentum distribution calculation, yield features consistent with the predicted CuO_2 and BiO_2 Fermi surfaces. In the data from unannealed Tl_2Ba _2Ca_2Cu_3 O_{10}, we only observe indications of the TlO Fermi surfaces, and attribute the absence of the predicted CuO_2 Fermi surfaces to the poor sample quality. In the absence of positron-electron momentum calculations for kappa-(BEDT)_2Cu(NCS) _2, we compare our data to electronic band structure calculations, and observed features suggestive of the predicted Fermi surface contributions from the BEDT cation layers. A complete positron-electron calculation for kappa-(BEDT)_2 Cu(NCS)_2 is required to understand the positron wavefunction effects in this material.

Measuring the band structures of periodic beams using the wave superposition method

Science.gov (United States)

Junyi, L.; Ruffini, V.; Balint, D.

2016-11-01

Phononic crystals and elastic metamaterials are artificially engineered periodic structures that have several interesting properties, such as negative effective stiffness in certain frequency ranges. An interesting property of phononic crystals and elastic metamaterials is the presence of band gaps, which are bands of frequencies where elastic waves cannot propagate. The presence of band gaps gives this class of materials the potential to be used as vibration isolators. In many studies, the band structures were used to evaluate the band gaps. The presence of band gaps in a finite structure is commonly validated by measuring the frequency response as there are no direct methods of measuring the band structures. In this study, an experiment was conducted to determine the band structure of one dimension phononic crystals with two wave modes, such as a bi-material beam, using the frequency response at only 6 points to validate the wave superposition method (WSM) introduced in a previous study. A bi-material beam and an aluminium beam with varying geometry were studied. The experiment was performed by hanging the beams freely, exciting one end of the beams, and measuring the acceleration at consecutive unit cells. The measured transfer function of the beams agrees with the analytical solutions but minor discrepancies. The band structure was then determined using WSM and the band structure of one set of the waves was found to agree well with the analytical solutions. The measurements taken for the other set of waves, which are the evanescent waves in the bi-material beams, were inaccurate and noisy. The transfer functions at additional points of one of the beams were calculated from the measured band structure using WSM. The calculated transfer function agrees with the measured results except at the frequencies where the band structure was inaccurate. Lastly, a study of the potential sources of errors was also conducted using finite element modelling and the errors in

Photonic band edge assisted spontaneous emission enhancement from all Er3+ 1-D photonic band gap structure

Science.gov (United States)

Chiasera, A.; Meroni, C.; Varas, S.; Valligatla, S.; Scotognella, F.; Boucher, Y. G.; Lukowiak, A.; Zur, L.; Righini, G. C.; Ferrari, M.

2018-06-01

All Er3+ doped dielectric 1-D Photonic Band Gap Structure was fabricated by rf-sputtering technique. The structure was constituted by of twenty pairs of SiO2/TiO2 alternated layers doped with Er3+ ions. The scanning electron microscopy was used to check the morphology of the structure. Transmission measurements put in evidence the stop band in the range 1500 nm-1950 nm. The photoluminescence measurements were obtained by optically exciting the sample and detecting the emitted light in the 1.5 μm region at different detection angles. Luminescence spectra and luminescence decay curves put in evidence that the presence of the stop band modify the emission features of the Er3+ ions.

Electronic structure of hcp transition metals

DEFF Research Database (Denmark)

Jepsen, O.; Andersen, O. Krogh; Mackintosh, A. R.

1975-01-01

Using the linear muffin-tin-orbital method described in the previous paper, we have calculated the electronic structures of the hcp transition metals, Zr, Hf, Ru, and Os. We show how the band structures of these metals may be synthesized from the sp and d bands, and illustrate the effects...... of hybridization, relativistic band shifts, and spin-orbit coupling by the example of Os. By making use of parameters derived from the muffin-tin potential, we discuss trends in the positions and widths of the energy bands, especially the d bands, as a function of the location in the periodic table. The densities...... of states of the four metals are presented, and the calculated heat capacities compared with experiment. The Fermi surfaces of both Ru and Os are found to be in excellent quantitative agreement with de Haas-van Alphen measurements, indicating that the calculated d-band position is misplaced by less than 10...

Band theory of metals the elements

CERN Document Server

Altmann, Simon L

1970-01-01

Band Theory of Metals: The Elements focuses on the band theory of solids. The book first discusses revision of quantum mechanics. Topics include Heisenberg's uncertainty principle, normalization, stationary states, wave and group velocities, mean values, and variational method. The text takes a look at the free-electron theory of metals, including heat capacities, density of states, Fermi energy, core and metal electrons, and eigenfunctions in three dimensions. The book also reviews the effects of crystal fields in one dimension. The eigenfunctions of the translations; symmetry operations of t

Observations of Accreting Pulsars with the FERMI-GBM

Science.gov (United States)

Wilson-Hodge, Colleen

2012-01-01

The Gamma-ray Burst Monitor (GBM) on-board Fermi comprises 12 NaI detectors spanning the 8-1000 keV band and 2 BGO detectors spanning the 100 keV to 40 MeV band. These detectors view the entire unocculted sky, providing long (approximately 40 ks/day) observations of accreting pulsars daily, which allow long-term monitoring of spin-frequencies and pulsed uxes via epoch-folded searches plus daily blind searches for new pulsars. Phase averaged uxes can be measured using the Earth occultation technique. In this talk I will present highlights of GBM accretion-powered pulsar monitoring such as the discovery of a torque reversal in 4U1626-67, a high-energy QPO in A0535+26, and evidence for a stable accretion disk in OAO 1657-415.

Computational Design of Flat-Band Material

Science.gov (United States)

Hase, I.; Yanagisawa, T.; Kawashima, K.

2018-02-01

Quantum mechanics states that hopping integral between local orbitals makes the energy band dispersive. However, in some special cases, there are bands with no dispersion due to quantum interference. These bands are called as flat band. Many models having flat band have been proposed, and many interesting physical properties are predicted. However, no real compound having flat band has been found yet despite the 25 years of vigorous researches. We have found that some pyrochlore oxides have quasi-flat band just below the Fermi level by first principles calculation. Moreover, their valence bands are well described by a tight-binding model of pyrochlore lattice with isotropic nearest neighbor hopping integral. This model belongs to a class of Mielke model, whose ground state is known to be ferromagnetic with appropriate carrier doping and on-site repulsive Coulomb interaction. We have also performed a spin-polarized band calculation for the hole-doped system from first principles and found that the ground state is ferromagnetic for some doping region. Interestingly, these compounds do not include magnetic element, such as transition metal and rare-earth elements.

Mid-frequency Band Dynamics of Large Space Structures

Science.gov (United States)

Coppolino, Robert N.; Adams, Douglas S.

2004-01-01

High and low intensity dynamic environments experienced by a spacecraft during launch and on-orbit operations, respectively, induce structural loads and motions, which are difficult to reliably predict. Structural dynamics in low- and mid-frequency bands are sensitive to component interface uncertainty and non-linearity as evidenced in laboratory testing and flight operations. Analytical tools for prediction of linear system response are not necessarily adequate for reliable prediction of mid-frequency band dynamics and analysis of measured laboratory and flight data. A new MATLAB toolbox, designed to address the key challenges of mid-frequency band dynamics, is introduced in this paper. Finite-element models of major subassemblies are defined following rational frequency-wavelength guidelines. For computational efficiency, these subassemblies are described as linear, component mode models. The complete structural system model is composed of component mode subassemblies and linear or non-linear joint descriptions. Computation and display of structural dynamic responses are accomplished employing well-established, stable numerical methods, modern signal processing procedures and descriptive graphical tools. Parametric sensitivity and Monte-Carlo based system identification tools are used to reconcile models with experimental data and investigate the effects of uncertainties. Models and dynamic responses are exported for employment in applications, such as detailed structural integrity and mechanical-optical-control performance analyses.

Reconstructing the energy band electronic structure of pulsed laser deposited CZTS thin films intended for solar cell absorber applications

Energy Technology Data Exchange (ETDEWEB)

Pandiyan, Rajesh [Institut National de la Recherche Scientifique, Centre-Énergie, Matériaux et Télécommunications, 1650 Blvd. Lionel–Boulet, C.P. 1020, Varennes, QC J3X-1S2 (Canada); Oulad Elhmaidi, Zakaria [Institut National de la Recherche Scientifique, Centre-Énergie, Matériaux et Télécommunications, 1650 Blvd. Lionel–Boulet, C.P. 1020, Varennes, QC J3X-1S2 (Canada); University of Mohammed V, Faculty of Sciences, Materials Physics Laboratory, B.P. 1014 Rabat (Morocco); Sekkat, Zouheir [Optics & Photonics Center, Moroccan Foundation for Advanced Science, Innovation and Research, Rabat (Morocco); Abd-lefdil, Mohammed [University of Mohammed V, Faculty of Sciences, Materials Physics Laboratory, B.P. 1014 Rabat (Morocco); El Khakani, My Ali, E-mail: elkhakani@emt.inrs.ca [Institut National de la Recherche Scientifique, Centre-Énergie, Matériaux et Télécommunications, 1650 Blvd. Lionel–Boulet, C.P. 1020, Varennes, QC J3X-1S2 (Canada)

2017-02-28

Highlights: • High quality CZTS thin films grown by means of PLD technique without resorting to any post sulfurization process. • Effect of thermal annealing treatments (in the 200–500 °C range) on the structural, morphological and optoelectronic properties of PLD-CZTS films. • Experimental determination of key optoelectronic parameters (i.e.; E{sub g}, VBM, ϕ, I{sub p}, and χ) enabling the reconstruction of energy band electronic structure of the PLD-CZTS films. • Investigation on the energy band alignments of the heterojunction interface formed between CZTS and both CdS and ZnS buffer layer materials. - Abstract: We report here on the use of pulsed KrF-laser deposition (PLD) technique for the growth of high-quality Cu{sub 2}ZnSnS{sub 4} (CZTS) thin films onto Si, and glass substrates without resorting to any post sulfurization process. The PLD-CZTS films were deposited at room temperature (RT) and then subjected to post annealing at different temperatures ranging from 200 to 500 °C in Argon atmosphere. The X-ray diffraction and Raman spectroscopy confirmed that the PLD films crystallize in the characteristic kesterite CZTS structure regardless of their annealing temperature (T{sub a}), but their crystallinity is much improved for T{sub a} ≥ 400 °C. The PLD-CZTS films were found to exhibit a relatively dense morphology with a surface roughness (RMS) that increases with T{sub a} (from ∼14 nm at RT to 70 nm at T{sub a} = 500 °C with a value around 40 nm for T{sub a} = 300–400 °C). The optical bandgap of the PLD-CZTS films, was derived from UV–vis transmission spectra analysis, and found to decrease from 1.73 eV for non-annealed films to ∼1.58 eV for those annealed at T{sub a} = 300 °C. These band gap values are very close to the optimum value needed for an ideal solar cell absorber. In order to achieve a complete reconstruction of the one-dimensional energy band structure of these PLD-CZTS absorbers, we have combined both XPS and UPS

Synthesis, physical properties and band structure of non-magnetic Y{sub 3}AlC

Energy Technology Data Exchange (ETDEWEB)

Ghule, S.S. [Bharati Vidyapeeth Deemed University College of Engineering, Pune-Satara Road, Pune 411043 (India); Garde, C.S., E-mail: gardecs@gmail.com [Vishwakarma Institute of Information Technology, S. no. 2/3/4, Kondhwa(Bk), Pune 411048 (India); Ramakrishnan, S. [Tata Institute of Fundamental Research, Navynagar, Mumbai 400005 (India); Singh, S. [Indian Institute of Science Education and Research, Dr Homi Bhabha Road, Pashan, Pune 411008 (India); Rajarajan, A.K. [Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Laad, Meena [Symbiosis Institute of Technology (SIT), Symbiosis International University (SIU), Lavale, Pune 412115 (India)

2016-10-01

Y{sub 3}AlC has been synthesized by arc melting and subsequent annealing. Rietveld analysis of the powder x-ray diffraction (XRD) data confirms cubic Pm-3m structure. Electrical resistivity (ρ) of Y{sub 3}AlC exhibits metallic behaviour. No sign of superconductivity is observed down to the lowest measurement temperatures of 4.2 K in ρ, and 2 K in magnetic susceptibility (χ) and specific heat (C{sub p}) measurements. The value of the electronic specific heat coefficient γ is 1.36 mJ/K{sup 2} mol from which the density of states (DOS) at the Fermi energy (E{sub F}) is obtained as 0.57 states/eV.unit cell. The value of Debye temperature θ{sub D} is estimated to be 315 K. Electronic band structure calculations of Y{sub 3}AlC reveal a pseudo-gap in the DOS at E{sub F} leading to a small value of 0.5 states/eV unit cell which matches quite well with that obtained from γ. Non-zero value of the DOS indicates metallic behaviour as confirmed by our ρ data. Covalent and ionic bonding seem to co-exist with metallic bonding in Y{sub 3}AlC as indicated by van Arkel- Ketelaar triangle for Zintl-like systems.

Electronic structure studies of ferro-pnictide superconductors and their parent compounds using angle-resolved photoemission spectroscopy (ARPES)

International Nuclear Information System (INIS)

Setti, Thirupathaiah

2011-01-01

The discovery of high temperature superconductivity in the iron pnictide compound LaO 1-x F x FeAs with T c = 26 K as created enormous interest in the high-T c superconductor community. So far, four prototypes of crystal structures have been found in the Fe-pnictide family. All four show a structural deformation followed or accompanied by a magnetic transition from a high temperature paramagnetic conductor to a low temperature antiferromagnetic metal whose transition temperature T N varies between the compounds. Charge carrier doping, isovalent substitution of the As atoms or the application of pressure suppresses the antiferromagnetic spin density wave (SDW) order and leads to a superconducting phase. More recently high Tc superconductivity has been also detected in iron chalchogenides with similar normal state properties. Since superconductivity is instability of the normal state, the study of normal state electronic structure in comparison with superconducting state could reveal important information on the pairing mechanism. Therefore, it is most important to study the electronic structure of these new superconductors, i.e., to determine Fermi surfaces and band dispersions near the Fermi level at the high symmetry points in order to obtain a microscopic understanding of the superconducting properties. Using the technique angle-resolved photoemission spectroscopy (ARPES) one measures the electrons ejected from a sample when photons impinge on it. In this way one can map the Fermi surface which provides useful information regarding the physics behind the Fermi surface topology of high T c superconductors. Furthermore, this technique provides information on the band dispersion, the orbital character of the bands, the effective mass, the coupling to bosonic excitations, and the superconducting gap. This emphasizes the importance of studying the electronic structure of the newly discovered Fe-pnictides using ARPES. In this work we have studied the electronic

Characterization of band structure for transverse acoustic phonons in Fibonacci superlattices by a bandedge formalism

International Nuclear Information System (INIS)

Hsueh, W J; Chen, R F; Tang, K Y

2008-01-01

We present a divergence-free method to determine the characteristics of band structures and projected band structures of transverse acoustic phonons in Fibonacci superlattices. A set of bandedge equations is formulated to solve the band structures for the phonon instead of using the traditional dispersion relation. Numerical calculations show band structures calculated by the present method for the Fibonacci superlattice without numerical instability, which may occur in traditional methods. Based on the present formalism, the band structure for the acoustic phonons has been characterized by closure points and the projected bandgaps of the forbidden bands. The projected bandgaps are determined by the projected band structure, which is characterized by the cross points of the projected bandedges. We observed that the band structure and projected band structure and their characteristics were quite different for different generation orders and the basic layers for the Fibonacci superlattice. In this study, concise rules to determine these characteristics of the band structure and the projected band structure, including the number and the location of closure points of forbidden bands and those of projected bandgaps, in Fibonacci superlattices with arbitrary generation order and basic layers are proposed.

Electronic structure of C r2AlC as observed by angle-resolved photoemission spectroscopy

Science.gov (United States)

Ito, Takahiro; Pinek, Damir; Fujita, Taishi; Nakatake, Masashi; Ideta, Shin-ichiro; Tanaka, Kiyohisa; Ouisse, Thierry

2017-11-01

We investigate the electronic band structure and Fermi surfaces (FSs) of C r2AlC single crystals with angle-resolved photoemission spectroscopy. We evidence hole bands centered around the M points and electron bands centered around the Γ point in reciprocal space. Electron and hole bands exhibit an open, tubular structure along the c axis, confirming the quasi-two-dimensional character of this highly anisotropic, nanolamellar compound. Dependence of the photoionization cross sections on beam light polarization and orientation allows us to assess the orbital character of each observed band locally. Despite some differences, density functional theory calculations show a good agreement with experiment.

Doping evolution of the electronic structure in the single-layer cuprates Bi2Sr2−xLaxCuO6 delta: Comparison with other single-layer cuprates

Energy Technology Data Exchange (ETDEWEB)

Hashimoto, M.

2010-04-30

We have performed angle-resolved photoemission and core-level x-ray photoemission studies of the single-layer cuprate Bi{sub 2}Sr{sub 2-x}La{sub x}CuO{sub 6+{delta}} (Bi2201) and revealed the doping evolution of the electronic structure from the lightly-doped to optimally-doped regions. We have observed the formation of the dispersive quasi-particle band, evolution of the Fermi 'arc' into the Fermi surface and the shift of the chemical potential with hole doping as in other cuprates. The doping evolution in Bi2201 is similar to that in Ca{sub 2-x}Na{sub x}CuO{sub 2}Cl{sub 2} (Na-CCOC), where a rapid chemical potential shift toward the lower Hubbard band of the parent insulator has been observed, but is quite different from that in La{sub 2-x}Sr{sub x}CuO{sub 4} (LSCO), where the chemical potential does not shift, yet the dispersive band and the Fermi arc/surface are formed around the Fermi level already in the lightly-doped region. The (underlying) Fermi surface shape and band dispersions are quantitatively analyzed using tightbinding fit, and the deduced next-nearest-neighbor hopping integral t also confirm the similarity to Na-CCOC and the difference from LSCO.

Two-band model with off-diagonal occupation dependent hopping rate

International Nuclear Information System (INIS)

Zawadowski, A.

1989-01-01

In this paper two-band hopping model is treated on a two-dimensional square lattice. The atoms are located at the corners and the middles of the edges of the squares. In addition to the strongly overlapping orbitals of the atoms, there are extra orbitals at the corners, which are weakly hybridized. The assumption is made that the Fermi level is inside the broad band and is every near to the narrow band formed by the extra orbitals. The hamiltonian is Hubbard type, but the off-diagonal part of the two-site interaction t is kept also where one creation or annihilation operator acts on the extra orbital and the others on one of its neighbors. The weak coupling t is enhanced by the on-site Coulomb repulsion at the corners, which enhancement is a power function of the ratio of the broad band width and the narrow bank position measured from the Fermi level. That enhancement is obtained by summation of logarithmic Kondo-type corrections of orbital origin, which reflects the formation of a ground state of new type with strong orbital and spin correlations. Interaction between the particles of the broad band is generated by processes with one heavy and one light particle in the intermediate state

High temperature and low pressure chemical vapor deposition of silicon nitride on AlGaN: Band offsets and passivation studies

Energy Technology Data Exchange (ETDEWEB)

Reddy, Pramod; Washiyama, Shun; Kaess, Felix; Hernandez-Balderrama, Luis H.; Haidet, Brian B.; Alden, Dorian; Franke, Alexander; Sarkar, Biplab; Kohn, Erhard; Collazo, Ramon; Sitar, Zlatko [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695-7919 (United States); Hayden Breckenridge, M. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695-7919 (United States); REU, Physics Department at Wofford College, Spartanburg, South Carolina 29303 (United States)

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 at 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.

Fermi surface study of CeSb

International Nuclear Information System (INIS)

Aoki, H.; Crabtree, G.W.; Joss, W.; Hulliger, F.

1984-09-01

A Fermi surface study of the ferromagnetic phase of CeSb is presented. The γ frequency branches arising from the electron surfaces at the X points, three separate frequency branches from the hole surfaces at the GAMMA point and the low frequency branch α have been observed. The effective mass ratios are low and range from approx. 0.2 for the α branch to approx. 1.0 for the high frequency branch of γ. The low effective mass ratios suggest that the admixture of the conduction states with the f state is small. We have observed a drastic change in the appearance of the dHvA signal at the phase transition between the ferromagnetic and lower field antiferromagnetic phases: The low frequency α oscillation suddenly disappears as the crystal enters the antiferromagnetic phase. By utilizing the change in the signal appearance, the transition field strength has been measured as a function of the field direction. The present experimental results, particularly the origin of the α oscillation, are discussed in the light of the p-f mixing theory and recent band structure calculations based on localized f orbitals

Fermi surface study of CeSb

International Nuclear Information System (INIS)

Aoki, H.; Crabtree, G.; Joss, W.; Hulliger, F.

1985-01-01

A Fermi surface study of the ferromagnetic phase of CeSb is presented. The γ frequency branches arising from the electron surfaces at the X points, three separate frequency branches from the hole surfaces at the GAMMA point, and the low-frequency branch α have been observed. The effective mass ratios are low and range from approx.0.2 for the α branch to approx.1.0 for the high-frequency branch of γ. The low effective mass ratios suggest that the admixture of the conduction states with the f state is small. We have observed a drastic change in the appearance of the de Haas--van Alpen signal at the phase transition between the ferromagnetic and lower field antiferromagnetic phases: the low-frequency α oscillation suddenly disappears as the crystal enters the antiferromagnetic phase. By utilizing the change in the signal appearance, the transition field strength has been measured as a function of the field direction. The present experimental results particularly the origin of the α oscillation, are discussed in the light of the p-f mixing theory and recent band-structure calculations based on localized f orbitals

Orbital character of O-2p unoccupied states near the Fermi level in CrO2

International Nuclear Information System (INIS)

Stagarescu, C. B.; Su, X.; Eastman, D. E.; Altmann, K. N.; Himpsel, F. J.; Gupta, A.

2000-01-01

The orbital character, orientation, and magnetic polarization of the O-2p unoccupied states near the Fermi level (E F ) in CrO 2 was determined using polarization-dependent x-ray absorption spectroscopy and x-ray magnetic circular dichroism from high-quality, single-crystal films. A sharp peak observed just above E F is excited only by the electric-field vector (E) normal to the tetragonal c axis, characteristic of a narrow band (≅0.7 eV bandwidth) constituted from O-2p orbitals perpendicular to c (O-2p y ) hybridized with Cr 3d xz-yz t 2g states. By comparison with band-structure and configuration-interaction cluster calculations our results support a model of CrO 2 as a half-metallic ferromagnet with large exchange-splitting energy (Δ exch-split ≅3.0 eV) and substantial correlation effects. (c) 2000 The American Physical Society

Polarization-dependent diffraction in all-dielectric, twisted-band structures

Energy Technology Data Exchange (ETDEWEB)

Kardaś, Tomasz M.; Jagodnicka, Anna; Wasylczyk, Piotr, E-mail: pwasylcz@fuw.edu.pl [Photonic Nanostructure Facility, Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warszawa (Poland)

2015-11-23

We propose a concept for light polarization management: polarization-dependent diffraction in all-dielectric microstructures. Numerical simulations of light propagation show that with an appropriately configured array of twisted bands, such structures may exhibit zero birefringence and at the same time diffract two circular polarizations with different efficiencies. Non-birefringent structures as thin as 3 μm have a significant difference in diffraction efficiency for left- and right-hand circular polarizations. We identify the structural parameters of such twisted-band matrices for optimum performance as circular polarizers.

Phononic Band Gaps in 2D Quadratic and 3D Cubic Cellular Structures.

Science.gov (United States)

Warmuth, Franziska; Körner, Carolin

2015-12-02

The static and dynamic mechanical behaviour of cellular materials can be designed by the architecture of the underlying unit cell. In this paper, the phononic band structure of 2D and 3D cellular structures is investigated. It is shown how the geometry of the unit cell influences the band structure and eventually leads to full band gaps. The mechanism leading to full band gaps is elucidated. Based on this knowledge, a 3D cellular structure with a broad full band gap is identified. Furthermore, the dependence of the width of the gap on the geometry parameters of the unit cell is presented.

Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions.

Science.gov (United States)

Dixit, H; Lamoen, D; Partoens, B

2013-01-23

CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass.

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

Science.gov (United States)

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.

MILAGRO OBSERVATIONS OF MULTI-TeV EMISSION FROM GALACTIC SOURCES IN THE FERMI BRIGHT SOURCE LIST

International Nuclear Information System (INIS)

Abdo, A. A.; Linnemann, J. T.; Allen, B. T.; Chen, C.; Aune, T.; Berley, D.; Goodman, J. A.; Christopher, G. E.; Kolterman, B. E.; Mincer, A. I.; Nemethy, P.; DeYoung, T.; Dingus, B. L.; Hoffman, C. M.; Ellsworth, R. W.; Gonzalez, M. M.; Hays, E.; McEnery, J. E.; Huentemeyer, P. H.; Morgan, T.

2009-01-01

We present the result of a search of the Milagro sky map for spatial correlations with sources from a subset of the recent Fermi Bright Source List (BSL). The BSL consists of the 205 most significant sources detected above 100 MeV by the Fermi Large Area Telescope. We select sources based on their categorization in the BSL, taking all confirmed or possible Galactic sources in the field of view of Milagro. Of the 34 Fermi sources selected, 14 are observed by Milagro at a significance of 3 standard deviations or more. We conduct this search with a new analysis which employs newly optimized gamma-hadron separation and utilizes the full eight-year Milagro data set. Milagro is sensitive to gamma rays with energy from 1 to 100 TeV with a peak sensitivity from 10 to 50 TeV depending on the source spectrum and declination. These results extend the observation of these sources far above the Fermi energy band. With the new analysis and additional data, multi-TeV emission is definitively observed associated with the Fermi pulsar, J2229.0+6114, in the Boomerang pulsar wind nebula (PWN). Furthermore, an extended region of multi-TeV emission is associated with the Fermi pulsar, J0634.0+1745, the Geminga pulsar.

Complex temperature evolution of the electronic structure of CaFe2As2

International Nuclear Information System (INIS)

Adhikary, Ganesh; Biswas, Deepnarayan; Sahadev, Nishaina; Bindu, R.; Kumar, Neeraj; Dhar, S. K.; Thamizhavel, A.; Maiti, Kalobaran

2014-01-01

Employing high resolution photoemission spectroscopy, we investigate the temperature evolution of the electronic structure of CaFe 2 As 2 , which is a parent compound of high temperature superconductors—CaFe 2 As 2 exhibits superconductivity under pressure as well as doping of charge carriers. Photoemission results of CaFe 2 As 2 in this study reveal a gradual shift of an energy band, α away from the chemical potential with decreasing temperature in addition to the spin density wave (SDW) transition induced Fermi surface reconstruction across SDW transition temperature. The corresponding hole pocket eventually disappears at lower temperatures, while the hole Fermi surface of the β band possessing finite p orbital character survives till the lowest temperature studied. These results, thus, reveal signature of complex charge redistribution among various energy bands as a function of temperature

Systematic design of phononic band-gap materials and structures by topology optimization

DEFF Research Database (Denmark)

Sigmund, Ole; Jensen, Jakob Søndergaard

2003-01-01

Phononic band-gap materials prevent elastic waves in certain frequency ranges from propagating, and they may therefore be used to generate frequency filters, as beam splitters, as sound or vibration protection devices, or as waveguides. In this work we show how topology optimization can be used...... to design and optimize periodic materials and structures exhibiting phononic band gaps. Firstly, we optimize infinitely periodic band-gap materials by maximizing the relative size of the band gaps. Then, finite structures subjected to periodic loading are optimized in order to either minimize the structural...

Enrico Fermi centenary exhibition seminar

CERN Multimedia

Maximilien Brice

2002-01-01

Photo 01: Dr. Juan Antonio Rubio, Leader of the Education and Technology Transfer Division and CERN Director General, Prof. Luciano Maiani. Photo 03: Luciano Maiani, Welcome and Introduction Photo 09: Antonino Zichichi, The New 'Centro Enrico Fermi' at Via Panisperna Photos 10, 13: Ugo Amaldi, Fermi at Via Panisperna and the birth of Nuclear Medicine Photo 14: Jack Steinberger, Fermi in Chicago Photo 18: Valentin Telegdi, A close-up of Fermi Photo 21: Arnaldo Stefanini, Celebrating Fermi's Centenary in Documents and Pictures.

Experimental studies of narrow band effects in the actinides

Energy Technology Data Exchange (ETDEWEB)

Brodsky, M.B.

1976-01-01

In many actinide metallic systems the f-electrons exhibit band behavior. This is a consequence of direct f-f wave function overlap or hybridization of f-electrons with s-, p-, and d-electrons. The f-bands can be responsible for large electronic densities of states at the Fermi level which may lead to band magnetism of various types. Although the concept of valence instabilities must be approached cautiously especially in the light actinides, it would not be surprising to observe them in the future, especially in Am compounds.

Experimental studies of narrow band effects in the actinides

International Nuclear Information System (INIS)

Brodsky, M.B.

1976-01-01

In many actinide metallic systems the f-electrons exhibit band behavior. This is a consequence of direct f-f wave function overlap or hybridization of f-electrons with s-, p-, and d-electrons. The f-bands can be responsible for large electronic densities of states at the Fermi level which may lead to band magnetism of various types. Although the concept of valence instabilities must be approached cautiously especially in the light actinides, it would not be surprising to observe them in the future, especially in Am compounds

Electronic structure of metal clusters

International Nuclear Information System (INIS)

Wertheim, G.K.

1989-01-01

Photoemission spectra of valence electrons in metal clusters, together with threshold ionization potential measurements, provide a coherent picture of the development of the electronic structure from the isolated atom to the large metallic cluster. An insulator-metal transition occurs at an intermediate cluster size, which serves to define the boundary between small and large clusters. Although the outer electrons may be delocalized over the entire cluster, a small cluster remains insulating until the density of states near the Fermi level exceeds 1/kT. In large clusters, with increasing cluster size, the band structure approaches that of the bulk metal. However, the bands remain significantly narrowed even in a 1000-atom cluster, giving an indication of the importance of long-range order. The core-electron binding-energy shifts of supported metal clusters depend on changes in the band structure in the initial state, as well as on various final-state effects, including changes in core hole screening and the coulomb energy of the final-state charge. For cluster supported on amorphous carbon, this macroscopic coulomb shift is often dominant, as evidenced by the parallel shifts of the core-electron binding energy and the Fermi edge. Auger data confirm that final-state effects dominate in cluster of Sn and some other metals. Surface atom core-level shifts provide a valuable guide to the contributions of initial-state changes in band structure to cluster core-electron binding energy shifts, especially for Au and Pt. The available data indicate that the shift observed in supported, metallic clusters arise largely from the charge left on the cluster by photoemission. As the metal-insulator transition is approached from above, metallic screening is suppressed and the shift is determined by the local environment. (orig.)

Deformed configurations, band structures and spectroscopic ...

Indian Academy of Sciences (India)

2014-03-20

Mar 20, 2014 ... The deformed configurations and rotational band structures in =50 Ge and Se nuclei are studied by deformed Hartree–Fock with quadrupole constraint and angular momentum projection. Apart from the `almost' spherical HF solution, a well-deformed configuration occurs at low excitation. A deformed ...

Electronic structure and equilibrium properties of hcp titanium

Indian Academy of Sciences (India)

The electronic structures of hexagonal-close-packed divalent titanium (3-d) and zirconium (4-d) transition metals are studied by using a non-local model potential method. From the present calculation of energy bands, Fermi energy, density of states and the electronic heat capacity of these two metals are determined and ...

Calculation of Energy Band Diagram of a Photoelectrochemical Water Splitting Cell

OpenAIRE

Cendula, P.; Tilley, S. D.; Gimenez, S.; Schmid, M.; Bisquert, J.; Graetzel, M.; Schumacher, J. O.

2014-01-01

A physical model is presented for a semiconductor electrode of a photoelectrochemical (PEC) cell, accounting for the potential drop in the Helmholtz layer. Hence both band edge pinning and unpinning are naturally included in our description. The model is based on the continuity equations for charge carriers and direct charge transfer from the energy bands to the electrolyte. A quantitative calculation of the position of the energy bands and the variation of the quasi-Fermi levels in the semic...

Band crossing and signature splitting in odd mass fp shell nuclei

International Nuclear Information System (INIS)

Velazquez, Victor; Hirsch, Jorge G.; Sun, Yang

2001-01-01

Structure of two sets of mirror nuclei: 47 V- 47 Cr and 49 Cr- 49 Mn, as well as 49 V and 51 Mn, is studied using the projected shell model. Their yrast spectra are described as an interplay between the angular momentum projected states around the Fermi level which carry different intrinsic K-quantum numbers. The deviations from a regular rotational sequence are attributed to band crossing and signature splitting, which are usually discussed in heavy nuclear systems. Our results agree reasonably with experimental data, and are comparable with those from the full pf shell model calculations

Polarimetric and Structural Properties of a Boreal Forest at P-Band and L-Band

Science.gov (United States)

Tebaldini, S.; Rocca, F.

2010-12-01

With this paper we investigate the structural and polarimetric of the boreal forest within the Krycklan river catchment, Northern Sweden, basing on multi-polarimetric and multi-baseline SAR surveys at P-Band and L-Band collected in the framework of the ESA campaign BioSAR 2008. The analysis has been carried out by applying the Algebraic Synthesis (AS) technique, recently introduced in literature, which provides a theoretical framework for the decomposition of the backscattered signal into ground-only and volume-only contributions, basing on both baseline and polarization diversity. The availability of multiple baselines allows the formation of a synthetic aperture not only along the azimuth direction but also in elevation. Accordingly, the backscattered echoes can be focused not only in the slant range, azimuth plane, but in the whole 3D space. This is the rationale of the SAR Tomography (T-SAR) concept, which has been widely considered in the literature of the last years. It follows that, as long as the penetration in the scattering volume is guaranteed, the vertical profile of the vegetation layer is retrieved by separating backscatter contributions along the vertical direction, which is the main reason for the exploitation of Tomographic techniques at longer wavelengths. Still, the capabilities of T-SAR are limited to imaging the global vertical structure of the electromagnetic scattering in a certain polarization. It then becomes important to develop methodologies for the investigation of the vertical structure of different Scattering Mechanisms (SMs), such as ground and volume scattering, in such a way as to derive information that can be delivered also outside the field of Radar processing. This is an issue that may become relevant at longer wavelengths, such as P-Band, where the presence of multiple scattering arising from the interaction with terrain could hinder the correct reconstruction of the forest structure. The availability of multiple polarizations

Complete flexural vibration band gaps in membrane-like lattice structures

International Nuclear Information System (INIS)

Yu Dianlong; Liu Yaozong; Qiu Jing; Wang Gang; Zhao Honggang

2006-01-01

The propagation of flexural vibration in the periodical membrane-like lattice structure is studied. The band structure calculated with the plane wave expansion method indicates the existence of complete gaps. The frequency response function of a finite periodic structure is simulated with finite element method. Frequency ranges with vibration attenuation are in good agreement with the gaps found in the band structure. Much larger attenuations are found in the complete gaps comparing to those directional ones. The existence of complete flexural vibration gaps in such a lattice structure provides a new idea for vibration control of thin plates

Modeling high-energy gamma-rays from the Fermi Bubbles

Energy Technology Data Exchange (ETDEWEB)

Splettstoesser, Megan

2015-09-17

In 2010, the Fermi Bubbles were discovered at the galactic center of the Milky Way. These giant gamma-ray structures, extending 55° in galactic latitude and 20°-30° in galactic longitude, were not predicted. We wish to develop a model for the gamma-ray emission of the Fermi Bubbles. To do so, we assume that second order Fermi acceleration requires charged particles and irregular magnetic fields- both of which are present in the disk of the Milky Way galaxy. By solving the steady-state case of the transport equation, I compute the proton spectrum due to second order Fermi acceleration. I compare the analytical solutions of the proton spectrum to a numerical solution. I find that the numerical solution to the transport equation converges to the analytical solution in all cases. The gamma-ray spectrum due to proton-proton interaction is compared to Fermi Bubble data (from Ackermann et al. 2014), and I find that second order Fermi acceleration is a good fit for the gamma-ray spectrum of the Fermi Bubbles at low energies with an injection source term of S = 1.5 x 10⁻¹⁰ GeV⁻¹cm⁻³yr⁻¹. I find that a non-steady-state solution to the gamma-ray spectrum with an injection source term of S = 2 x 10⁻¹⁰ GeV⁻¹cm⁻³yr⁻¹ matches the bubble data at high energies.

On the interrelation between bulk and thin-film Fermi surfaces

KAUST Repository

Schwingenschlögl, Udo

2010-12-01

A general scheme for inferring the Fermi surface of a finite slab from ab initio electronic-structure calculations for the parent bulk system is introduced. The simple cubic ReO 3 oxide is studied as an example system. We show that our scheme provides an accurate approximation of the Fermi surface even for very thin slabs. © 2010 Europhysics Letters Association.

Fermi Observation of GRB 080916C

International Nuclear Information System (INIS)

Piron, F.

2009-01-01

We present the observations of the long-duration Gamma-Ray Burst GRB 080916C by the Fermi Gamma-ray Burst Monitor (GBM) and Large Area Telescope (LAT). This event was observed from 8 keV to a photon with an energy of 13.2 GeV. It develops over a 1400 s interval during which the highest number of photons with energy above 100 MeV are detected from a burst. The onset of the high-energy (>100 MeV) emission is delayed by ∼4.5 s with respect to the low-energy (<1 MeV) emission, which is not detected past 200 s. The broad-band spectrum of the burst is consistent with a single spectral form.

Magnetic resonance as a local probe for linear bands in the Weyl semimetals NbP and TaP

Energy Technology Data Exchange (ETDEWEB)

Baenitz, Michael; Yasuoka, Hiroshi; Majumder, Mayukh; Shekhar, Chandra; Yan, Binghai; Felser, Claudia; Schmidt, Marcus [MPI for Chemical Physics of Solids, Dresden (Germany)

2016-07-01

Some compensated d-electron semimetals, for example the monophosphites NbP and TaP, with non centrosymmetric structure and with sizable spin orbit coupling (SOC) form a new class of material: the Weyl semimetals (WSM). A unique linear crossing of valence- and conduction- band in a single point in reciprocal space defines the so called Weyl point where the fermion mass vanishes theoretically. In real materials the Fermi level E{sub F} does not exactly match the Weyl node and as a consequence residual very light fermions are found. Due to the SOC these Weyl fermions have a chirality (handedness) on their linear dispersive (E ∝k) bands and frequently a linear density of states (DOS) at the Fermi level E{sub F}. We use NMR as a probe for this linear d- electron bands. The shift provides the s- and d- electron contributions to the DOS at E{sub F}, whereas the spin lattice relaxation is governed by low energy excitations around E{sub F}. {sup 31}P (I = 1/2) - Fourier - transform - and {sup 95}Nb (I = 9/2) - broadline - sweep - NMR studies are performed. We investigated powder samples as well as single crystals on both systems. The angular dependence of the {sup 95}Nb- and {sup 31}P - NMR lines is discussed.

Electronic structure of ferromagnetic semiconductor Ga1-xMnxAs probed by sub-gap magneto-optical spectroscopy

OpenAIRE

Acbas, G.; Kim, M. -H.; Cukr, M.; Novak, V.; Scarpulla, M. A.; Dubon, O. D.; Jungwirth, T.; Sinova, Jairo; Cerne, J.

2009-01-01

We employ Faraday and Kerr effect spectroscopy in the infrared range to investigate the electronic structure of Ga1-xMnxAs near the Fermi energy. The band structure of this archetypical dilute-moment ferromagnetic semiconductor has been a matter of controversy, fueled partly by previous measurements of the unpolarized infrared absorption and their phenomenological impurity-band interpretation. The infrared magneto-optical effects we study arise directly from the spin-splitting of the carrier ...

Fermi energy dependence of the G-band resonance Raman spectra of single-wall carbon nanotubes

Czech Academy of Sciences Publication Activity Database

Park, J. S.; Sasaki, K.; Saito, R.; Izumida, W.; Kalbáč, Martin; Farhat, H.; Dresselhaus, G.; Dresselhaus, M. S.

2009-01-01

Roč. 80, č. 8 (2009), 081402-1-081402-4 ISSN 1098-0121 R&D Projects: GA MŠk LC510; GA MŠk ME09060 Institutional research plan: CEZ:AV0Z40400503 Keywords : Fermi energy dependence * Raman spectroscopy * single waled carbon nanotubes Subject RIV: CG - Electrochemistry Impact factor: 3.475, year: 2009

Band structure of an electron in a kind of periodic potentials with singularities

Science.gov (United States)

Hai, Kuo; Yu, Ning; Jia, Jiangping

2018-06-01

Noninteracting electrons in some crystals may experience periodic potentials with singularities and the governing Schrödinger equation cannot be defined at the singular points. The band structure of a single electron in such a one-dimensional crystal has been calculated by using an equivalent integral form of the Schrödinger equation. Both the perturbed and exact solutions are constructed respectively for the cases of a general singular weak-periodic system and its an exactly solvable version, Kronig-Penney model. Any one of them leads to a special band structure of the energy-dependent parameter, which results in an effective correction to the previous energy-band structure and gives a new explanation for forming the band structure. The used method and obtained results could be a valuable aid in the study of energy bands in solid-state physics, and the new explanation may trigger investigation to different physical mechanism of electron band structures.

Compact electromagnetic bandgap structures for notch band in ultra-wideband applications.

Science.gov (United States)

Rotaru, Mihai; Sykulski, Jan

2010-01-01

This paper introduces a novel approach to create notch band filters in the front-end of ultra-wideband (UWB) communication systems based on electromagnetic bandgap (EBG) structures. The concept presented here can be implemented in any structure that has a microstrip in its configuration. The EBG structure is first analyzed using a full wave electromagnetic solver and then optimized to work at WLAN band (5.15-5.825 GHz). Two UWB passband filters are used to demonstrate the applicability and effectiveness of the novel EBG notch band feature. Simulation results are provided for two cases studied.

Tunable band structures of polycrystalline graphene by external and mismatch strains

Institute of Scientific and Technical Information of China (English)

Jiang-Tao Wu; Xing-Hua Shi; Yu-Jie Wei

2012-01-01

Lacking a band gap largely limits the application of graphene in electronic devices.Previous study shows that grain boundaries (GBs) in polycrystalline graphene can dramatically alter the electrical properties of graphene.Here,we investigate the band structure of polycrystalline graphene tuned by externally imposed strains and intrinsic mismatch strains at the GB by density functional theory (DFT) calculations.We found that graphene with symmetrical GBs typically has zero band gap even with large uniaxial and biaxial strain.However,some particular asymmetrical GBs can open a band gap in graphene and their band structures can be substantially tuned by external strains.A maximum band gap about 0.19 eV was observed in matched-armchair GB (5,5) | (3,7) with a misorientation of θ =13° when the applied uniaxial strain increases to 9％.Although mismatch strain is inevitable in asymmetrical GBs,it has a small influence on the band gap of polycrystalline graphene.

Topological crystalline insulator PbxSn1-xTe thin films on SrTiO3 (001 with tunable Fermi levels

Directory of Open Access Journals (Sweden)

Hua Guo

2014-05-01

Full Text Available In this letter, we report a systematic study of topological crystalline insulator PbxSn1-xTe (0 < x < 1 thin films grown by molecular beam epitaxy on SrTiO3(001. Two domains of PbxSn1-xTe thin films with intersecting angle of α ≈ 45° were confirmed by reflection high energy diffraction, scanning tunneling microscopy, and angle-resolved photoemission spectroscopy (ARPES. ARPES study of PbxSn1-xTe thin films demonstrated that the Fermi level of PbTe could be tuned by altering the temperature of substrate whereas SnTe cannot. An M-shaped valance band structure was observed only in SnTe but PbTe is in a topological trivial state with a large gap. In addition, co-evaporation of SnTe and PbTe results in an equivalent variation of Pb concentration as well as the Fermi level of PbxSn1-xTe thin films.

Multi-cavity locally resonant structure with the low frequency and broad band-gaps

Directory of Open Access Journals (Sweden)

Jiulong Jiang

2016-11-01

Full Text Available A multi-cavity periodic structure with the characteristic of local resonance was proposed in the paper. The low frequency band-gap structure was comparatively analyzed by the finite element method (FEM and electric circuit analogy (ECA. Low frequency band-gap can be opened through the dual influence of the coupling’s resonance in the cavity and the interaction among the couplings between structures. Finally, the influence of the structural factors on the band-gap was analyzed. The results show that the structure, which is divided into three parts equally, has a broader effective band-gap below the frequency of 200 Hz. It is also proved that reducing the interval between unit structures can increase the intensity of the couplings among the structures. And in this way, the width of band-gap would be expanded significantly. Through the parameters adjustment, the structure enjoys a satisfied sound insulation effect below the frequency of 500Hz. In the area of low frequency noise reduction, the structure has a lot of potential applications.

Fermi surface mapping: Techniques and visualization

International Nuclear Information System (INIS)

Rotenberg, E.; Denlinger, J.D.; Kevan, S.D.

1997-01-01

Angle-resolved photoemission (ARP) of valence bands is a mature technique that has achieved spectacular success in band-mapping metals, semiconductors, and insulators. The purpose of the present study was the development of experimental and analytical techniques in ARP which take advantage of third generation light sources. Here the authors studied the relatively simple Cu surface in preparation for other metals. Copper and related metals themselves are of current interest, especially due to its role as an interlayer in spin valves and other magnetic heterostructures. A major goal of this study was the development of a systematic technique to quickly (i.e. in a few hours of synchrotron beamtime) measure the FS and separate it into bulk and surface FS's. Often, one needs to avoid bulk features altogether, which one can achieve by carefully mapping their locations in k-space. The authors will also show how they systematically map Fermi surfaces throughout large volumes of k-space, and, by processing the resulting volume data sets, provide intuitive pictures of FS's, both bulk and surface

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

Science.gov (United States)

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

2013-11-22

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

A density functional theory investigation of the electronic structure and spin moments of magnetite

KAUST Repository

Noh, Junghyun

2014-08-01

We present the results of density functional theory (DFT) calculations on magnetite, Fe3O4, which has been recently considered as electrode in the emerging field of organic spintronics. Given the nature of the potential applications, we evaluated the magnetite room-temperature cubic phase in terms of structural, electronic, and magnetic properties. We considered GGA (PBE), GGA + U (PBE + U), and range-separated hybrid (HSE06 and HSE(15%)) functionals. Calculations using HSE06 and HSE(15%) functionals underline the impact that inclusion of exact exchange has on the electronic structure. While the modulation of the band gap with exact exchange has been seen in numerous situations, the dramatic change in the valence band nature and states near the Fermi level has major implications for even a qualitative interpretation of the DFT results. We find that HSE06 leads to highly localized states below the Fermi level while HSE(15%) and PBE + U result in delocalized states around the Fermi level. The significant differences in local magnetic moments and atomic charges indicate that describing room-temperature bulk materials, surfaces and interfaces may require different functionals than their low-temperature counterparts.

A density functional theory investigation of the electronic structure and spin moments of magnetite

KAUST Repository

Noh, Junghyun; Osman, Osman I; Aziz, Saadullah G; Winget, Paul; Bredas, Jean-Luc

2014-01-01

We present the results of density functional theory (DFT) calculations on magnetite, Fe3O4, which has been recently considered as electrode in the emerging field of organic spintronics. Given the nature of the potential applications, we evaluated the magnetite room-temperature cubic phase in terms of structural, electronic, and magnetic properties. We considered GGA (PBE), GGA + U (PBE + U), and range-separated hybrid (HSE06 and HSE(15%)) functionals. Calculations using HSE06 and HSE(15%) functionals underline the impact that inclusion of exact exchange has on the electronic structure. While the modulation of the band gap with exact exchange has been seen in numerous situations, the dramatic change in the valence band nature and states near the Fermi level has major implications for even a qualitative interpretation of the DFT results. We find that HSE06 leads to highly localized states below the Fermi level while HSE(15%) and PBE + U result in delocalized states around the Fermi level. The significant differences in local magnetic moments and atomic charges indicate that describing room-temperature bulk materials, surfaces and interfaces may require different functionals than their low-temperature counterparts.

A search for neutrino emission from the Fermi bubbles with the ANTARES telescope

Energy Technology Data Exchange (ETDEWEB)

Adrian-Martinez, S.; Ardid, M.; Larosa, G.; Martinez-Mora, J.A. [Universitat Politecnica de Valencia, Institut d' Investigacio per a la Gestio Integrada de les Zones Costaneres (IGIC), Gandia (Spain); Albert, A.; Drouhin, D.; Racca, C. [GRPHE, Institut Universitaire de Technologie de Colmar, 34 rue du Grillenbreit, BP 50568, Colmar (France); Al Samarai, I.; Aubert, J.J.; Bertin, V.; Brunner, J.; Busto, J.; Carr, J.; Charif, Z.; Core, L.; Costantini, H.; Coyle, P.; Curtil, C.; Dornic, D.; Ernenwein, J.P.; Escoffier, S.; Lambard, E.; Riviere, C.; Vallee, C.; Vecchi, M.; Yatkin, K. [CPPM, Aix-Marseille Universite, CNRS/IN2P3, Marseille (France); Andre, M. [Technical University of Catalonia, Laboratory of Applied Bioacoustics, Vilanova i la Geltru, Barcelona (Spain); Anton, G.; Classen, F.; Eberl, T.; Enzenhoefer, A.; Fehn, K.; Folger, F.; Fritsch, U.; Geisselsoeder, S.; Geyer, K.; Gleixner, A.; Graf, K.; Herold, B.; Hoessl, J.; James, C.W.; Kalekin, O.; Kappes, A.; Katz, U.; Lahmann, R.; Neff, M.; Richter, R.; Roensch, K.; Schmid, J.; Schnabel, J.; Seitz, T.; Shanidze, R.; Sieger, C.; Spies, A.; Wagner, S. [Friedrich-Alexander-Universitaet Erlangen-Nuernberg, Erlangen Centre for Astroparticle Physics, Erlangen (Germany); Anvar, S.; Louis, F.; Schuessler, F.; Stolarczyk, T.; Vallage, B.; Vernin, P. [Institut de recherche sur les lois fondamentales de l' Univers, Service d' Electronique des Detecteurs et d' Informatique, CEA Saclay, Direction des Sciences de la Matiere, Gif-sur-Yvette Cedex (France); Astraatmadja, T.; Bogazzi, C.; Heijboer, A.J.; Jong, M. de; Michael, T.; Palioselitis, D.; Schulte, S.; Steijger, J.J.M.; Visser, E. [Nikhef, Science Park, Amsterdam (Netherlands); Baret, B.; Bouhou, B.; Creusot, A.; Galata, S.; Kouchner, A.; Elewyck, V. van [APC, Universite Paris Diderot, CNRS/IN2P3, CEA/IRFU, Observatoire de Paris, Sorbonne Paris Cite, Paris (France); Barrios-Marti, J.; Bigongiari, C.; Bouwhuis, M.C.; Emanuele, U.; Gomez-Gonzalez, J.P.; Hernandez-Rey, J.J.; Lambard, G.; Mangano, S.; Sanchez-Losa, A.; Yepes, H.; Zornoza, J.D.; Zuniga, J. [Universitat de Valencia, IFIC, Instituto de Fisica Corpuscular, Edificios Investigacion de Paterna, CSIC, Valencia (Spain); Basa, S.; Marcelin, M.; Nezri, E. [Pole de l' Etoile Site de Chateau-Gombert, LAM, Laboratoire d' Astrophysique de Marseille, Marseille Cedex 13 (France); Biagi, S.; Fusco, L.A.; Giacomelli, G.; Margiotta, A.; Spurio, M. [INFN, Sezione di Bologna, Bologna (Italy); Dipartimento di Fisica dell' Universita, Bologna (Italy); Capone, A.; De Bonis, G.; Fermani, P.; Perrina, C.; Simeone, F. [INFN, Sezione di Roma, Rome (Italy); Dipartimento di Fisica dell' Universita La Sapienza, Rome (Italy); Caramete, L.; Pavalas, G.E.; Popa, V. [Institute for Space Sciences, Bucharest, Magurele (Romania); Carloganu, C.; Dumas, A.; Gay, P.; Guillard, G. [Clermont Universite, Universite Blaise Pascal, CNRS/IN2P3, Laboratoire de Physique Corpusculaire, BP 10448, Clermont-Ferrand (France); Cecchini, S.; Chiarusi, T. [INFN, Sezione di Bologna, Bologna (Italy); Charvis, P.; Deschamps, A.; Hello, Y. [Geoazur, Universite Nice Sophia-Antipolis, CNRS/INSU, IRD, Observatoire de la Cote d' Azur, Sophia Antipolis (France); Circella, M. [INFN, Sezione di Bari, Bari (Italy); Coniglione, R.; Lattuada, D.; Riccobene, G.; Sapienza, P.; Trovato, A. [INFN, Laboratori Nazionali del Sud (LNS), Catania (Italy); Dekeyser, I.; Lefevre, D.; Martini, S.; Robert, A.; Tamburini, C. [Mediterranean Institute of Oceanography (MIO), Aix-Marseille University, Marseille Cedex 9 (France); Universit du Sud Toulon-Var, CNRS-INSU/IRD UM 110, La Garde Cedex (France); Donzaud, C. [APC, Universite Paris Diderot, CNRS/IN2P3, CEA/IRFU, Observatoire de Paris, Sorbonne Paris Cite, Paris (France); Universite Paris-Sud, Orsay Cedex (France); Dorosti, Q.; Loehner, H. [University of Groningen, Kernfysisch Versneller Instituut (KVI), Groningen (Netherlands); Flaminio, V. [INFN, Sezione di Pisa, Pisa (Italy); Dipartimento di Fisica dell' Universita, Pisa (Italy); Giordano, V. [INFN, Sezione di Catania, Catania (Italy); Haren, H. van [Royal Netherlands Institute for Sea Research (NIOZ), ' t Horntje (Texel) (Netherlands); Hugon, C.; Sanguineti, M. [INFN, Sezione di Genova, Genoa (Italy); Kadler, M. [Universitaet Wuerzburg, Institut fuer Theoretische Physik und Astrophysik, Wuerzburg (Germany); Kooijman, P. [Nikhef, Science Park, Amsterdam (Netherlands); Universiteit Utrecht, Faculteit Betawetenschappen, Utrecht (Netherlands); Universiteit van Amsterdam, Instituut voor Hoge-Energie Fysica, Amsterdam (Netherlands); Kreykenbohm, I.; Mueller, C.; Wilms, J. [Universitaet Erlangen-Nuernberg, Dr. Remeis-Sternwarte and ECAP, Bamberg (Germany); Kulikovskiy, V. [INFN, Sezione di Genova, Genoa (Italy); Moscow State University, Skobeltsyn Institute of Nuclear Physics, Moscow (Russian Federation); Leonora, E.; Lo Presti, D. [INFN, Sezione di Catania, Catania (Italy); Dipartimento di Fisica ed Astronomia dell' Universita, Catania (Italy); Loucatos, S. [Institut de recherche sur les lois fondamentales de l' Univers, Service d' Electronique des Detecteurs et d' Informatique, CEA Saclay, Direction des Sciences de la Matiere, Gif-sur-Yvette Cedex (France); APC, Universite Paris Diderot, CNRS/IN2P3, CEA/IRFU, Observatoire de Paris, Sorbonne Paris Cite, Paris (France); Montaruli, T. [Mediterranean Institute of Oceanography (MIO), Aix-Marseille University, Marseille Cedex 9 (France); Universite de Geneve, Departement de Physique Nucleaire et Corpusculaire, Geneva (Switzerland); Morganti, M. [INFN, Sezione di Pisa, Pisa (Italy); Pradier, T. [Universite de Strasbourg et CNRS/IN2P3, IPHC-Institut Pluridisciplinaire Hubert Curien, 23 rue du Loess, BP 28, Strasbourg Cedex 2 (France); Rostovtsev, A. [ITEP, Institute for Theoretical and Experimental Physics, Moscow (Russian Federation); Samtleben, D.F.E. [Nikhef, Science Park, Amsterdam (Netherlands); Universiteit Leiden, Leids Instituut voor Onderzoek in Natuurkunde, Leiden (Netherlands); Taiuti, M. [Technical University of Catalonia, Laboratory of Applied Bioacoustics, Vilanova i la Geltru, Barcelona (Spain); Dipartimento di Fisica dell' Universita, Genoa (IT); Tayalati, Y. [University Mohammed I, Laboratory of Physics of Matter and Radiations, B.P.717, Oujda (MA); Wolf, E. de [Nikhef, Science Park, Amsterdam (NL); Universiteit van Amsterdam, Instituut voor Hoge-Energie Fysica, Amsterdam (NL); Collaboration: The ANTARES Collaboration

2014-02-15

Analysis of the Fermi-LAT data has revealed two extended structures above and below the Galactic Centre emitting gamma rays with a hard spectrum, the so-called Fermi bubbles. Hadronic models attempting to explain the origin of the Fermi bubbles predict the emission of high-energy neutrinos and gamma rays with similar fluxes. The ANTARES detector, a neutrino telescope located in the Mediterranean Sea, has a good visibility to the Fermi bubble regions. Using data collected from 2008 to 2011 no statistically significant excess of events is observed and therefore upper limits on the neutrino flux in TeV range from the Fermi bubbles are derived for various assumed energy cutoffs of the source. (orig.)

A search for neutrino emission from the Fermi bubbles with the ANTARES telescope

International Nuclear Information System (INIS)

Adrian-Martinez, S.; Ardid, M.; Larosa, G.; Martinez-Mora, J.A.; Albert, A.; Drouhin, D.; Racca, C.; Al Samarai, I.; Aubert, J.J.; Bertin, V.; Brunner, J.; Busto, J.; Carr, J.; Charif, Z.; Core, L.; Costantini, H.; Coyle, P.; Curtil, C.; Dornic, D.; Ernenwein, J.P.; Escoffier, S.; Lambard, E.; Riviere, C.; Vallee, C.; Vecchi, M.; Yatkin, K.; Andre, M.; Anton, G.; Classen, F.; Eberl, T.; Enzenhoefer, A.; Fehn, K.; Folger, F.; Fritsch, U.; Geisselsoeder, S.; Geyer, K.; Gleixner, A.; Graf, K.; Herold, B.; Hoessl, J.; James, C.W.; Kalekin, O.; Kappes, A.; Katz, U.; Lahmann, R.; Neff, M.; Richter, R.; Roensch, K.; Schmid, J.; Schnabel, J.; Seitz, T.; Shanidze, R.; Sieger, C.; Spies, A.; Wagner, S.; Anvar, S.; Louis, F.; Schuessler, F.; Stolarczyk, T.; Vallage, B.; Vernin, P.; Astraatmadja, T.; Bogazzi, C.; Heijboer, A.J.; Jong, M. de; Michael, T.; Palioselitis, D.; Schulte, S.; Steijger, J.J.M.; Visser, E.; Baret, B.; Bouhou, B.; Creusot, A.; Galata, S.; Kouchner, A.; Elewyck, V. van; Barrios-Marti, J.; Bigongiari, C.; Bouwhuis, M.C.; Emanuele, U.; Gomez-Gonzalez, J.P.; Hernandez-Rey, J.J.; Lambard, G.; Mangano, S.; Sanchez-Losa, A.; Yepes, H.; Zornoza, J.D.; Zuniga, J.; Basa, S.; Marcelin, M.; Nezri, E.; Biagi, S.; Fusco, L.A.; Giacomelli, G.; Margiotta, A.; Spurio, M.; Capone, A.; De Bonis, G.; Fermani, P.; Perrina, C.; Simeone, F.; Caramete, L.; Pavalas, G.E.; Popa, V.; Carloganu, C.; Dumas, A.; Gay, P.; Guillard, G.; Cecchini, S.; Chiarusi, T.; Charvis, P.; Deschamps, A.; Hello, Y.; Circella, M.; Coniglione, R.; Lattuada, D.; Riccobene, G.; Sapienza, P.; Trovato, A.; Dekeyser, I.; Lefevre, D.; Martini, S.; Robert, A.; Tamburini, C.; Donzaud, C.; Dorosti, Q.; Loehner, H.; Flaminio, V.; Giordano, V.; Haren, H. van; Hugon, C.; Sanguineti, M.; Kadler, M.; Kooijman, P.; Kreykenbohm, I.; Mueller, C.; Wilms, J.; Kulikovskiy, V.; Leonora, E.; Lo Presti, D.; Loucatos, S.; Montaruli, T.; Morganti, M.; Pradier, T.; Rostovtsev, A.; Samtleben, D.F.E.; Taiuti, M.; Tayalati, Y.; Wolf, E. de

2014-01-01

Analysis of the Fermi-LAT data has revealed two extended structures above and below the Galactic Centre emitting gamma rays with a hard spectrum, the so-called Fermi bubbles. Hadronic models attempting to explain the origin of the Fermi bubbles predict the emission of high-energy neutrinos and gamma rays with similar fluxes. The ANTARES detector, a neutrino telescope located in the Mediterranean Sea, has a good visibility to the Fermi bubble regions. Using data collected from 2008 to 2011 no statistically significant excess of events is observed and therefore upper limits on the neutrino flux in TeV range from the Fermi bubbles are derived for various assumed energy cutoffs of the source. (orig.)

Complex temperature evolution of the electronic structure of CaFe{sub 2}As{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Adhikary, Ganesh; Biswas, Deepnarayan; Sahadev, Nishaina; Bindu, R.; Kumar, Neeraj; Dhar, S. K.; Thamizhavel, A.; Maiti, Kalobaran, E-mail: kbmaiti@tifr.res.in [Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai 400 005 (India)

2014-03-28

Employing high resolution photoemission spectroscopy, we investigate the temperature evolution of the electronic structure of CaFe{sub 2}As{sub 2}, which is a parent compound of high temperature superconductors—CaFe{sub 2}As{sub 2} exhibits superconductivity under pressure as well as doping of charge carriers. Photoemission results of CaFe{sub 2}As{sub 2} in this study reveal a gradual shift of an energy band, α away from the chemical potential with decreasing temperature in addition to the spin density wave (SDW) transition induced Fermi surface reconstruction across SDW transition temperature. The corresponding hole pocket eventually disappears at lower temperatures, while the hole Fermi surface of the β band possessing finite p orbital character survives till the lowest temperature studied. These results, thus, reveal signature of complex charge redistribution among various energy bands as a function of temperature.

Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS

International Nuclear Information System (INIS)

Kozyukhin, S.; Golovchak, R.; Kovalskiy, A.; Shpotyuk, O.; Jain, H.

2011-01-01

High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As x Se 100−x , As x S 100−x , Ge x Se 100−x and Ge x S 100−x chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.

Valence band structure of binary chalcogenide vitreous semiconductors by high-resolution XPS

Energy Technology Data Exchange (ETDEWEB)

Kozyukhin, S., E-mail: sergkoz@igic.ras.ru [Russian Academy of Science, Institute of General and Inorganic Chemistry (Russian Federation); Golovchak, R. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Kovalskiy, A. [Lehigh University, Department of Materials Science and Engineering (United States); Shpotyuk, O. [Lviv Scientific Research Institute of Materials of SRC ' Carat' (Ukraine); Jain, H. [Lehigh University, Department of Materials Science and Engineering (United States)

2011-04-15

High-resolution X-ray photoelectron spectroscopy (XPS) is used to study regularities in the formation of valence band electronic structure in binary As{sub x}Se{sub 100-x}, As{sub x}S{sub 100-x}, Ge{sub x}Se{sub 100-x} and Ge{sub x}S{sub 100-x} chalcogenide vitreous semiconductors. It is shown that the highest occupied energetic states in the valence band of these materials are formed by lone pair electrons of chalcogen atoms, which play dominant role in the formation of valence band electronic structure of chalcogen-rich glasses. A well-expressed contribution from chalcogen bonding p electrons and more deep s orbitals are also recorded in the experimental valence band XPS spectra. Compositional dependences of the observed bands are qualitatively analyzed from structural and compositional points of view.

Graphene based silicon–air grating structure to realize electromagnetically-induced-transparency and slow light effect

Energy Technology Data Exchange (ETDEWEB)

Wei, Buzheng; Liu, Huaiqing [Key Lab of All Optical Network & Advanced Telecommunication Network of EMC, Beijing Jiaotong University, Beijing 100044 (China); Institute of Lightwave Technology, Beijing Jiaotong University, Beijing 100044 (China); Ren, Guobin, E-mail: gbren@bjtu.edu.cn [Key Lab of All Optical Network & Advanced Telecommunication Network of EMC, Beijing Jiaotong University, Beijing 100044 (China); Institute of Lightwave Technology, Beijing Jiaotong University, Beijing 100044 (China); Yang, Yuguang; Ye, Shen; Pei, Li; Jian, Shuisheng [Key Lab of All Optical Network & Advanced Telecommunication Network of EMC, Beijing Jiaotong University, Beijing 100044 (China); Institute of Lightwave Technology, Beijing Jiaotong University, Beijing 100044 (China)

2017-01-23

Highlights: • The EIT and slow light effect are achieved by our novel graphene based structure. • Excellent tunability of wide wavelength range can be obtained only by a small change in Fermi energy level. • The group velocity of incident light is reduced to more than 1/600 of that in vacuum. • Position control is realized by designing a graded period grating. - Abstract: A broad band tunable graphene based silicon–air grating structure is proposed. Electromagnetically-induced-transparency (EIT) window can be successfully tuned by virtually setting the desired Fermi energy levels on graphene sheets. Carrier mobility plays an important role in modulating the resonant depth. Furthermore, by changing the grating periods, light can be trapped at corresponding resonant positions where slow down factor is relatively larger than in the previous works. This structure can be used as a highly tunable optoelectronic device such as optical filter, broad-band modulator, plasmonic switches and buffers.

Electronic Structure of Cu(tmdt2 Studied with First-Principles Calculations

Directory of Open Access Journals (Sweden)

Kiyoyuki Terakura

2012-08-01

Full Text Available We have studied the electronic structure of Cu(tmdt2, a material related to single-component molecular conductors, by first-principles calculations. The total energy calculations for several different magnetic configurations show that there is strong antiferromagnetic (AFM exchange coupling along the crystal a-axis. The electronic structures are analyzed in terms of the molecular orbitals near the Fermi level of isolated Cu(tmdt2 molecule. This analysis reveals that the system is characterized by the half-filled pdσ(− band whose intermolecular hopping integrals have strong one-dimensionality along the crystal a-axis. As the exchange splitting of the band is larger than the band width, the basic mechanism of the AFM exchange coupling is the superexchange. It will also be shown that two more ligand orbitals which are fairly insensitive to magnetism are located near the Fermi level. Because of the presence of these orbitals, the present calculation predicts that Cu(tmdt2 is metallic even in its AFM state, being inconsistent with the available experiment. Some comments will be made on the difference between Cu(tmdt2 and Cu(dmdt2.

Strain Effect on Electronic Structure and Work Function in α-Fe2O3 Films

Directory of Open Access Journals (Sweden)

Li Chen

2017-03-01

Full Text Available We investigate the electronic structure and work function modulation of α-Fe2O3 films by strain based on the density functional method. We find that the band gap of clean α-Fe2O3 films is a function of the strain and is influenced significantly by the element termination on the surface. The px and py orbitals keep close to Fermi level and account for a pronounced narrowing band gap under compressive strain, while unoccupied dz2 orbitals from conduction band minimum draw nearer to Fermi level and are responsible for the pronounced narrowing band gap under tensile strain. The spin polarized surface state, arising from localized dangling-bond states, is insensitive to strain, while the bulk band, especially for pz orbital, arising from extended Bloch states, is very sensitive to strain, which plays an important role for work function decreasing (increasing under compressive (tensile strain in Fe termination films. In particular, the work function in O terminated films is insensitive to strain because pz orbitals are less sensitive to strain than that of Fe termination films. Our findings confirm that the strain is an effective means to manipulate electronic structures and corrosion potential.

Fermi surfaces in Kondo insulators

Science.gov (United States)

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.

Reconstruction de la surface de Fermi dans l'etat normal d'un supraconducteur a haute Tc: Une etude du transport electrique en champ magnetique intense

Science.gov (United States)

Le Boeuf, David

Des mesures de resistance longitudinale et de resistance de Hall en champ magnetique intense transverse (perpendiculaire aux plans CuO2) ont ete effectuees au sein de monocristaux de YBa2Cu3Oy (YBCO) demacles, ordonnes et de grande purete, afin d'etudier l'etat fondamental des supraconducteurs a haute Tc dans le regime sous-dope. Cette etude a ete realisee en fonction du dopage et de l'orientation du courant d'excitation J par rapport a l'axe orthorhombique b de la structure cristalline. Les mesures en champ magnetique intense revelent par suppression de la supraconductivite des oscillations magnetiques des resistances longitudinale et de Hall dans YBa2Cu 3O6.51 et YBa2Cu4O8. La conformite du comportement de ces oscillations quantiques au formalisme de Lifshitz-Kosevich, apporte la preuve de l'existence d'une surface de Fermi fermee a caractere quasi-2D, abritant des quasiparticules coherentes respectant la statistique de Fermi-Dirac, dans la phase pseudogap d'YBCO. La faible frequence des oscillations quantiques, combinee avec l'etude de la partie monotone de la resistance de Hall en fonction de la temperature indique que la surface de Fermi d'YBCO sous-dope comprend une petite poche de Fermi occupee par des porteurs de charge negative. Cette particularite de la surface de Fermi dans le regime sous-dope incompatible avec les calculs de structure de bande est en fort contraste avec la structure electronique presente dans le regime surdope. Cette observation implique ainsi l'existence d'un point critique quantique dans le diagramme de phase d'YBCO, au voisinage duquel la surface de Fermi doit subir une reconstruction induite par l'etablissement d'une brisure de la symetrie de translation du reseau cristallin sous-jacent. Enfin, l'etude en fonction du dopage de la resistance de Hall et de la resistance longitudinale en champ magnetique intense suggere qu'un ordre du type onde de densite (DW) est responsable de la reconstruction de la surface de Fermi. L'analogie de

Anisotropic non-Fermi liquids

Science.gov (United States)

Sur, Shouvik; Lee, Sung-Sik

2016-11-01

We study non-Fermi-liquid states that arise at the quantum critical points associated with the spin density wave (SDW) and charge density wave (CDW) transitions in metals with twofold rotational symmetry. We use the dimensional regularization scheme, where a one-dimensional Fermi surface is embedded in (3 -ɛ ) -dimensional momentum space. In three dimensions, quasilocal marginal Fermi liquids arise both at the SDW and CDW critical points: the speed of the collective mode along the ordering wave vector is logarithmically renormalized to zero compared to that of Fermi velocity. Below three dimensions, however, the SDW and CDW critical points exhibit drastically different behaviors. At the SDW critical point, a stable anisotropic non-Fermi-liquid state is realized for small ɛ , where not only time but also different spatial coordinates develop distinct anomalous dimensions. The non-Fermi liquid exhibits an emergent algebraic nesting as the patches of Fermi surface are deformed into a universal power-law shape near the hot spots. Due to the anisotropic scaling, the energy of incoherent spin fluctuations disperse with different power laws in different momentum directions. At the CDW critical point, on the other hand, the perturbative expansion breaks down immediately below three dimensions as the interaction renormalizes the speed of charge fluctuations to zero within a finite renormalization group scale through a two-loop effect. The difference originates from the fact that the vertex correction antiscreens the coupling at the SDW critical point whereas it screens at the CDW critical point.

Shell model description of band structure in 48Cr

International Nuclear Information System (INIS)

Vargas, Carlos E.; Velazquez, Victor M.

2007-01-01

The band structure for normal and abnormal parity bands in 48Cr are described using the m-scheme shell model. In addition to full fp-shell, two particles in the 1d3/2 orbital are allowed in order to describe intruder states. The interaction includes fp-, sd- and mixed matrix elements

Electronic structure engineering in silicene via atom substitution and a new two-dimensional Dirac structure Si3C

Science.gov (United States)

Yin, Na; Dai, Ying; Wei, Wei; Huang, Baibiao

2018-04-01

A lot of efforts have been made towards the band gap opening in two-dimensional silicene, the silicon version of graphene. In the present work, the electronic structures of single atom doped (B, N, Al and P) and codoped (B/N and Al/P) silicene monolayers are systematically examined on the base of density functional electronic calculations. Our results demonstrate that single atom doping can realize electron or hole doping in the silicene; while codoping, due to the syergistic effects, results in finite band gap in silicene at the Dirac point without significantly degrading the electronic properties. In addition, the characteristic of band gap shows dependence on the doping concentration. Importantly, we predict a new two-dimensional Dirac structure, the graphene-like Si3C, which also shows linear band dispersion relation around the Fermi level. Our results demonstrates an important perspective to engineer the electronic and optical properties of silicene.

Formation of halo-structures in oxygen isotopes through change of occupancy of levels near Fermi surface

International Nuclear Information System (INIS)

Bhattacharya, Rupayan

2000-01-01

Recently a new parametrisation of Skyrme interaction has been formulated in order to study the level inversions of A=9 isobars. The role of occupancy of 2s 1/2 level in determining the halo structures of O, N, C, B and Be nuclei was shown. A thorough investigation on the binding energies, rms charge, neutron and matter distribution and occupation probabilities of levels near the Fermi surface has been done in the present work

Electron correlations in narrow band systems

International Nuclear Information System (INIS)

Kishore, R.

1983-01-01

The effect of the electron correlations in narrow bands, such as d(f) bands in the transition (rare earth) metals and their compounds and the impurity bands in doped semiconductors is studied. The narrow band systems is described, by the Hubbard Hamiltonian. By proposing a local self-energy for the interacting electron, it is found that the results are exact in both atomic and band limits and reduce to the Hartree Fock results for U/Δ → 0, where U is the intra-atomic Coulomb interaction and Δ is the bandwidth of the noninteracting electrons. For the Lorentzian form of the density of states of the noninteracting electrons, this approximation turns out to be equivalent to the third Hubbard approximation. A simple argument, based on the mean free path obtained from the imaginary part of the self energy, shows how the electron correlations can give rise to a discontinous metal-nonmetal transition as proposed by Mott. The band narrowing and the existence of the satellite below the Fermi energy in Ni, found in photoemission experiments, can also be understood. (Author) [pt

Enhancement of phononic band gaps in ternary/binary structure

International Nuclear Information System (INIS)

Aly, Arafa H.; Mehaney, Ahmed

2012-01-01

Based on the transfer matrix method (TMM) and Bloch theory, the interaction of elastic waves (normal incidence) with 1D phononic crystal had been studied. The transfer matrix method was obtained for both longitudinal and transverse waves by applying the continuity conditions between the consecutive unit cells. Dispersion relations are calculated and plotted for both binary and ternary structures. Also we have investigated the corresponding effects on the band gaps values for the two types of phononic crystals. Furthermore, it can be observed that the complete band gaps are located in the common frequency stop-band regions. Numerical simulations are performed to investigate the effect of different thickness ratios inside each unit cell on the band gap values, as well as unit cells thickness on the central band gap frequency. These phononic band gap materials can be used as a filter for elastic waves at different frequencies values.

REVISITING THE LONG/SOFT-SHORT/HARD CLASSIFICATION OF GAMMA-RAY BURSTS IN THE FERMI ERA

International Nuclear Information System (INIS)

Zhang Fuwen; Yan Jingzhi; Wei Daming; Shao Lang

2012-01-01

We perform a statistical analysis of the temporal and spectral properties of the latest Fermi gamma-ray bursts (GRBs) to revisit the classification of GRBs. We find that the bimodalities of duration and the energy ratio (E peak /Fluence) and the anti-correlation between spectral hardness (hardness ratio (HR), peak energy, and spectral index) and duration (T 90 ) support the long/soft-short/hard classification scheme for Fermi GRBs. The HR-T 90 anti-correlation strongly depends on the spectral shape of GRBs and energy bands, and the bursts with the curved spectra in the typical BATSE energy bands show a tighter anti-correlation than those with the power-law spectra in the typical BAT energy bands. This might explain why the HR-T 90 correlation is not evident for those GRB samples detected by instruments like Swift with a narrower/softer energy bandpass. We also analyze the intrinsic energy correlation for the GRBs with measured redshifts and well-defined peak energies. The current sample suggests E p,rest = 2455 × (E iso /10 52 ) 0.59 for short GRBs, significantly different from that for long GRBs. However, both the long and short GRBs comply with the same E p,rest -L iso correlation.

Changing optical band structure with single photons

Science.gov (United States)

Albrecht, Andreas; Caneva, Tommaso; Chang, Darrick E.

2017-11-01

Achieving strong interactions between individual photons enables a wide variety of exciting possibilities in quantum information science and many-body physics. Cold atoms interfaced with nanophotonic structures have emerged as a platform to realize novel forms of nonlinear interactions. In particular, when atoms are coupled to a photonic crystal waveguide, long-range atomic interactions can arise that are mediated by localized atom-photon bound states. We theoretically show that in such a system, the absorption of a single photon can change the band structure for a subsequent photon. This occurs because the first photon affects the atoms in the chain in an alternating fashion, thus leading to an effective period doubling of the system and a new optical band structure for the composite atom-nanophotonic system. We demonstrate how this mechanism can be engineered to realize a single-photon switch, where the first incoming photon switches the system from being highly transmissive to highly reflective, and analyze how signatures can be observed via non-classical correlations of the outgoing photon field.

Enrico Fermi Symposium at CERN : opening celebration

CERN Multimedia

CERN. Geneva. Audiovisual Unit

2002-01-01

You are cordially invited to the opening celebration on Thursday 12 September at 16:00 (Main Building, Council Chamber), which will include speechs from: Luciano Maiani - Welcome and Introduction Antonino Zichichi - The New 'Centro Enrico Fermi' at Via Panisperna Ugo Amaldi - Fermi at Via Panisperna and the birth of Nuclear Medicine Jack Steinberger - Fermi in Chicago Valentin Telegdi - A Close-up of Fermi Arnaldo Stefanini - Celebrating Fermi's Centenary in Documents and Pictures and the screening of a documentary video about Fermi: Scienziati a Pisa: Enrico Fermi (Scientists at Pisa: Enrico Fermi) created by Francesco Andreotti for La Limonaia from early film, photographs and sound recordings (English version - c. 30 mins).

Band Gap Properties of Magnetoelectroelastic Grid Structures with Initial Stress

International Nuclear Information System (INIS)

Wang Yi-Ze; Li Feng-Ming

2012-01-01

The propagation of elastic waves in magnetoelectroelastic grid structures is studied. Band gap properties are presented and the effects of the magnetoelectroelastic coupling and initial stress are considered. Numerical calculations are performed using the plane-wave expansion method. The results show that the band gap width can be tuned by the initial stress. It is hoped that our results will be helpful for designing acoustic filters with magnetoelectroelastic materials and grid structures

High-order harmonic generation from a two-dimensional band structure

Science.gov (United States)

Jin, Jian-Zhao; Xiao, Xiang-Ru; Liang, Hao; Wang, Mu-Xue; Chen, Si-Ge; Gong, Qihuang; Peng, Liang-You

2018-04-01

In the past few years, harmonic generation in solids has attracted tremendous attention. Recently, some experiments of two-dimensional (2D) monolayer or few-layer materials have been carried out. These studies demonstrated that harmonic generation in the 2D case shows a strong dependence on the laser's orientation and ellipticity, which calls for a quantitative theoretical interpretation. In this work, we carry out a systematic study on the harmonic generation from a 2D band structure based on a numerical solution to the time-dependent Schrödinger equation. By comparing with the 1D case, we find that the generation dynamics can have a significant difference due to the existence of many crossing points in the 2D band structure. In particular, the higher conduction bands can be excited step by step via these crossing points and the total contribution of the harmonic is given by the mixing of transitions between different clusters of conduction bands to the valence band. We also present the orientation dependence of the harmonic yield on the laser polarization direction.

A pseudogap model beyond BCS for the cuprates: The effect of order parameter symmetry, Debye frequency and band structure

International Nuclear Information System (INIS)

Rodriguez-Nunez, J.J.; Schmidt, A.A.; Beck, H.; Valera, M.

2005-08-01

One of the most intriguing aspects of high temperature superconductors (HTSC) is the presence of the pseudogap in the normal and the superconducting phases of the cuprate compounds. Several pseudogap models have been proposed to explain the $abnormal$ properties of the cuprates. One of the recent models relies on the assumption that the self-energy is given by Σ PG (iω n )=- E g 2 (k)G 0 (k,-iω n ) where G 0 (k,iω n is the one- particle free Green function. Going beyond this mean field model for the pseudogap we now take into account fluctuations of the pseudogap as Σ PG (iω n )=- E g 2 (k)G PG (k,-iω n ) where G PG (k,iω n is the one-particle full Green function. We study the combined effect of the band structure and the Debye frequency, ω D , on the superconducting critical temperature, T c , as a function of the number of carriers per site, n. Our conclusions are: 1) increasing the value of V/t increases the value of T c /t; 2) increasing the value of E G /t decreases the value of T c /t. By the way, one needs some critical value of V/t to have finite values of T c /t. This is the reason we have taken high values of V/ to find superconductivity; 3) decreasing the value of ω D /t decreases the value of T c /t. This is reasonable since we have less available states around the Fermi; 4) the inclusion of α', which we call the effect of the band structure, is important because it moves the center of curve of T c /t x n. The center of this curve, with respect to half-filling (n=1), is displaced to the left if α'>0.0; 5) the chemical potential is defined in the region where T c /t ≠ 0. However, in this region, it is almost identical for different values of V/t. This is due to the fact that μ is a global property; 6) our model always produces d-wave superconductivity around the Fermi level, independent whether E G (K-bar)/t is s- or d-wave symmetry. (author)

Energy band structure tailoring of vertically aligned InAs/GaAsSb quantum dot structure for intermediate-band solar cell application by thermal annealing process.

Science.gov (United States)

Liu, Wei-Sheng; Chu, Ting-Fu; Huang, Tien-Hao

2014-12-15

This study presents an band-alignment tailoring of a vertically aligned InAs/GaAs(Sb) quantum dot (QD) structure and the extension of the carrier lifetime therein by rapid thermal annealing (RTA). Arrhenius analysis indicates a larger activation energy and thermal stability that results from the suppression of In-Ga intermixing and preservation of the QD heterostructure in an annealed vertically aligned InAs/GaAsSb QD structure. Power-dependent and time-resolved photoluminescence were utilized to demonstrate the extended carrier lifetime from 4.7 to 9.4 ns and elucidate the mechanisms of the antimony aggregation resulting in a band-alignment tailoring from straddling to staggered gap after the RTA process. The significant extension in the carrier lifetime of the columnar InAs/GaAsSb dot structure make the great potential in improving QD intermediate-band solar cell application.

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

Science.gov (United States)

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 , 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↓ } .

Band Structure and Quantum Confined Stark Effect in InN/GaN superlattices

DEFF Research Database (Denmark)

Gorczyca, I.; Suski, T.; Christensen, Niels Egede

2012-01-01

InN/GaN superlattices offer an important way of band gap engineering in the blue-green range of the spectrum. This approach represents a more controlled method than the band gap tuning in quantum well systems by application of InGaN alloys. The electronic structures of short-period wurtzite InN/G...... wells and barriers one may tune band gaps over a wide spectral range, which provides flexibility in band gap engineering.......InN/GaN superlattices offer an important way of band gap engineering in the blue-green range of the spectrum. This approach represents a more controlled method than the band gap tuning in quantum well systems by application of InGaN alloys. The electronic structures of short-period wurtzite In......N/GaN(0001) superlattices are investigated, and the variation of the band gap with the thicknesses of the well and the barrier is discussed. Superlattices of the form mInN/nGaN with n ≥ m are simulated using band structure calculations in the Local Density Approximation with a semiempirical correction...

Seebeck effect on a weak link between Fermi and non-Fermi liquids

Science.gov (United States)

Nguyen, T. K. T.; Kiselev, M. N.

2018-02-01

We propose a model describing Seebeck effect on a weak link between two quantum systems with fine-tunable ground states of Fermi and non-Fermi liquid origin. The experimental realization of the model can be achieved by utilizing the quantum devices operating in the integer quantum Hall regime [Z. Iftikhar et al., Nature (London) 526, 233 (2015), 10.1038/nature15384] designed for detection of macroscopic quantum charged states in multichannel Kondo systems. We present a theory of thermoelectric transport through hybrid quantum devices constructed from quantum-dot-quantum-point-contact building blocks. We discuss pronounced effects in the temperature and gate voltage dependence of thermoelectric power associated with a competition between Fermi and non-Fermi liquid behaviors. High controllability of the device allows to fine tune the system to different regimes described by multichannel and multi-impurity Kondo models.

Fermi: a physicist in the upheaval; Fermi: un physicien dans la tourmente

Energy Technology Data Exchange (ETDEWEB)

Maria, M. de

2002-07-01

This book summarizes the life, works and complex personality of the Italian physicist Enrico Fermi (1901-1954) whose myth is linked with the political upheaval of the 2. world war: the youth of an autodidact, the theorician and the quantum mechanics, his invention of a quantum statistics, the weak interaction theory, his works on artificial radioactivity, the end of the Fermi team and his exile in the USA, the secrete researches at the university of Columbia and the birth of the first atomic 'pile' (December 2, 1942), the building of Los Alamos center and the Alamogordo explosion test, the disagreements among the physicists of the Manhattan project and the position of Fermi, Fermi's contribution in the H-bomb construction, the creation of the physics school of Chicago, the Oppenheimer spying affair. (J.S.)

Electronic structure of some 3D transition-metal pyrites

NARCIS (Netherlands)

Folkerts, W.; Sawatzky, G.A.; Haas, C.; Groot, R.A. de; Hillebrecht, F.U.

1987-01-01

Bremsstrahlung Isochromat spectra of FeS2, NiS2, NiS1.2Se0.8 and NiSe2 are reported. These are the first direct experimental evidence for a sharp antibonding p-like state above the Fermi level. A comparison is made with experimental results in the literature. For FeS2, band-structure calculations

Fermi surface of the one-dimensional Hubbard model. Finite-size effects

Energy Technology Data Exchange (ETDEWEB)

Bourbonnais, C.; Nelisse, H.; Reid, A.; Tremblay, A.M.S. (Dept. de Physique and Centre de Recherche en Physique du Solide (C.R.P.S.), Univ. de Sherbrooke, Quebec (Canada))

1989-12-01

The results reported here, using a standard numerical algorithm and a simple low temperature extrapolation, appear consistent with numerical results of Sorella et al. for the one-dimensional Hubbard model in the half-filled and quarter-filled band cases. However, it is argued that the discontinuity at the Fermi level found in the quarter-filled case is likely to come from the zero-temperature finite-size dependence of the quasiparticle weight Z, which is also discussed here. (orig.).

Systematic study on intermolecular valence-band dispersion in molecular crystalline films

International Nuclear Information System (INIS)

Yamane, Hiroyuki; Kosugi, Nobuhiro

2015-01-01

Highlights: • Intermolecular valence-band dispersion of crystalline films of phthalocyanines. • Intermolecular transfer integral versus lattice constant. • Site-specific intermolecular interaction and resultant valence-band dispersion. • Band narrowing effect induced by elevated temperature. - Abstract: Functionalities of organic semiconductors are governed not only by individual properties of constituent molecules but also by solid-state electronic states near the Fermi level such as frontier molecular orbitals, depending on weak intermolecular interactions in various conformations. The individual molecular property has been widely investigated in detail; on the other hand, the weak intermolecular interaction is difficult to investigate precisely due to the presence of the structural and thermal energy broadenings in organic solids. Here we show quite small but essential intermolecular valence band dispersions and their temperature dependence of sub-0.1-eV scale in crystalline films of metal phthalocyanines (H_2Pc, ZnPc, CoPc, MnPc, and F_1_6ZnPc) by using angle-resolved photoemission spectroscopy (ARPES) with synchrotron radiation. The observed bands show intermolecular and site dependent dispersion widths, phases, and periodicities, for different chemical substitution of terminal groups and central metals in the phthalocyanine molecule. The precise and systematic band-dispersion measurement would be a credible approach toward the comprehensive understanding of intermolecular interactions and resultant charge transport properties as well as their tuning by substituents in organic molecular systems.

Emission bands of phosphorus and calculation of band structure of rare earth phosphides

International Nuclear Information System (INIS)

Al'perovich, G.I.; Gusatinskij, A.N.; Geguzin, I.I.; Blokhin, M.A.; Torbov, V.I.; Chukalin, V.I.; AN SSSR, Moscow. Inst. Novykh Khimicheskikh Problem)

1977-01-01

The method of x-ray emission spectroscopy has been used to investigate the electronic structure of monophosphides of rare-earth metals (REM). The fluorescence K bands of phosphorus have been obtained in LaP, PrP, SmP, GdP, TbP, DyP, HoP, ErP, TmP, YbP, and LuP and also the Lsub(2,3) bands of phosphorus in ErP, TmP, YbP, and LuP. Using the Green function technique involving the muffin-tin potential, the energy spectrum for ErP has been calculated in the single-electron approximation. The hystogram of electronic state distribution N(E) is compared with the experimental K and Lsub(2,3) bands of phosphorus in ErP. The agreement between the main details of N(E) and that of x-ray spectra allows to state that the model used provides a good description of the electron density distribution in crystals of REM monophosphides. In accordance with the character of the N(E) distribution the compounds under study are classified as semimetals or semiconductors with a very narrow forbidden band

Band structure of Mgsub(x)Znsub(1-x)Te alloys

International Nuclear Information System (INIS)

Laugier, A.; Montegu, B.; Barbier, D.; Chevallier, J.; Guillaume, J.C.; Somogyi, K.

1980-01-01

The band structure of Mgsub(x)Znsub(1-x)Te alloys is studied using a double beam wavelength modulated system in first derivative mode. Modulated reflectivity measurements are made from 82 to 300 K within spectral range 2500 to 5400 A. Structures corresponding to the E 0 , E 0 + Δ 0 , E 1 , E 1 + Δ 1 , e 1 and e 1 + Δ 1 critical points are indexed on the basis of existing band calculations for ZnTe. (author)

Structure of intruder band in "1"1"9"-"1"2"9Xe

International Nuclear Information System (INIS)

Sharma, H.P.; Chakraborty, S.; Tiwary, S.S.

2017-01-01

Xe isotopes in A∼130 mass region are known for their variety of structural phenomena, such as, unexpected signature splitting, signature inversion, γ-vibration etc. These phenomena are associated to axialy asymmetric shape. The triaxial shape in Xe nuclei are expected to originate due to the availability of prolate driving low-Ω πh_1_1_/_2 orbital and oblate driving high-Ω νh11/2 orbital near Fermi surface. The observed experimental E (4"+)/E (2"+) value (∼2.5) also support the γ-soft nature of these nuclei. Interestingly, both proton and neutron alignments have been observed in νh_1_1_/_2 band in "1"1"9"-"1"2"5Xe and neutron alignment dominates. In "1"2"9Xe, proton alignment reported to dominate. It is also supported by TPRM calculations, although, there are no significant change in the neutron orbitals. Whether this change in the alignment is occurred at N=75 or 73 is not known. Therefore, it is interesting to understand the status of the neutron and proton alignment in "1"2"7Xe, which are not studied well. Hence, in-beam γ-ray spectroscopy of "1"2"7Xe was carried out using "1"2"2Sn("9Be, 4nγ) fusion-evaporation reaction at 48 MeV using INGA facility at Inter-University Accelerator Centre, New Delhi. Details of the analysis and results will be discussed during the conference. (author)

Band structures and localization properties of aperiodic layered phononic crystals

Energy Technology Data Exchange (ETDEWEB)

Yan Zhizhong, E-mail: zzyan@bit.edu.cn [Department of Applied Mathematics, Beijing Institute of Technology, Beijing 100081 (China); Zhang Chuanzeng [Department of Civil Engineering, University of Siegen, D-57078 Siegen (Germany)

2012-03-15

The band structures and localization properties of in-plane elastic waves with coupling of longitudinal and transverse modes oblique propagating in aperiodic phononic crystals based on Thue-Morse and Rudin-Shapiro sequences are studied. Using transfer matrix method, the concept of the localization factor is introduced and the correctness is testified through the Rytov dispersion relation. For comparison, the perfect periodic structure and the quasi-periodic Fibonacci system are also considered. In addition, the influences of the random disorder, local resonance, translational and/or mirror symmetries on the band structures of the aperiodic phononic crystals are analyzed in this paper.

Magnon band structure and magnon density in one-dimensional magnonic crystals

International Nuclear Information System (INIS)

Qiu, Rong-ke; Huang, Te; Zhang, Zhi-dong

2014-01-01

By using Callen's Green's function method and the Tyablikov and Anderson–Callen decoupling approximations, we systematically study the magnon band structure and magnon density perpendicular to the superlattice plane of one-dimensional magnonic crystals, with a superlattice consisting of two magnetic layers with ferromagnetic (FM) or antiferromagnetic (AFM) interlayer exchange coupling. The effects of temperature, interlayer coupling, anisotropy and external magnetic field on the magnon-energy band and magnon density in the K x -direction are investigated in three situations: a) the magnon band of magnetic superlattices with FM interlayer coupling, b) separate and c) overlapping magnon bands of magnetic superlattices with AFM interlayer coupling. In the present work, a quantum approach is developed to study the magnon band structure and magnon density of magnonic crystals and the results are beneficial for the design of magnonic-crystal waveguides or gigahertz-range spin-wave filters. - Highlights: • A quantum approach has been developed to study the magnon band of magnonic crystals. • The separate and overlapping magnon bands of magnetic superlattices are investigated. • The results are beneficial for the design of gigahertz-range spin-wave filters

Magnon band structure and magnon density in one-dimensional magnonic crystals

Energy Technology Data Exchange (ETDEWEB)

Qiu, Rong-ke, E-mail: rkqiu@163.com [Shenyang University of Technology, Shenyang 110870 (China); Huang, Te [Shenyang University of Technology, Shenyang 110870 (China); Zhang, Zhi-dong [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)

2014-11-15

By using Callen's Green's function method and the Tyablikov and Anderson–Callen decoupling approximations, we systematically study the magnon band structure and magnon density perpendicular to the superlattice plane of one-dimensional magnonic crystals, with a superlattice consisting of two magnetic layers with ferromagnetic (FM) or antiferromagnetic (AFM) interlayer exchange coupling. The effects of temperature, interlayer coupling, anisotropy and external magnetic field on the magnon-energy band and magnon density in the K{sub x}-direction are investigated in three situations: a) the magnon band of magnetic superlattices with FM interlayer coupling, b) separate and c) overlapping magnon bands of magnetic superlattices with AFM interlayer coupling. In the present work, a quantum approach is developed to study the magnon band structure and magnon density of magnonic crystals and the results are beneficial for the design of magnonic-crystal waveguides or gigahertz-range spin-wave filters. - Highlights: • A quantum approach has been developed to study the magnon band of magnonic crystals. • The separate and overlapping magnon bands of magnetic superlattices are investigated. • The results are beneficial for the design of gigahertz-range spin-wave filters.

The MARS15-based FermiCORD code system for calculation of the accelerator-induced residual dose

Science.gov (United States)

Grebe, A.; Leveling, A.; Lu, T.; Mokhov, N.; Pronskikh, V.

2018-01-01

The FermiCORD code system, a set of codes based on MARS15 that calculates the accelerator-induced residual doses at experimental facilities of arbitrary configurations, has been developed. FermiCORD is written in C++ as an add-on to Fortran-based MARS15. The FermiCORD algorithm consists of two stages: 1) simulation of residual doses on contact with the surfaces surrounding the studied location and of radionuclide inventories in the structures surrounding those locations using MARS15, and 2) simulation of the emission of the nuclear decay γ-quanta by the residuals in the activated structures and scoring the prompt doses of these γ-quanta at arbitrary distances from those structures. The FermiCORD code system has been benchmarked against similar algorithms based on other code systems and against experimental data from the CERF facility at CERN, and FermiCORD showed reasonable agreement with these. The code system has been applied for calculation of the residual dose of the target station for the Mu2e experiment and the results have been compared to approximate dosimetric approaches.

Electronic structure studies of ferro-pnictide superconductors and their parent compounds using angle-resolved photoemission spectroscopy (ARPES)

Energy Technology Data Exchange (ETDEWEB)

Setti, Thirupathaiah

2011-07-14

The discovery of high temperature superconductivity in the iron pnictide compound LaO{sub 1-x}F{sub x}FeAs with T{sub c} = 26 K as created enormous interest in the high-T{sub c} superconductor community. So far, four prototypes of crystal structures have been found in the Fe-pnictide family. All four show a structural deformation followed or accompanied by a magnetic transition from a high temperature paramagnetic conductor to a low temperature antiferromagnetic metal whose transition temperature T{sub N} varies between the compounds. Charge carrier doping, isovalent substitution of the As atoms or the application of pressure suppresses the antiferromagnetic spin density wave (SDW) order and leads to a superconducting phase. More recently high Tc superconductivity has been also detected in iron chalchogenides with similar normal state properties. Since superconductivity is instability of the normal state, the study of normal state electronic structure in comparison with superconducting state could reveal important information on the pairing mechanism. Therefore, it is most important to study the electronic structure of these new superconductors, i.e., to determine Fermi surfaces and band dispersions near the Fermi level at the high symmetry points in order to obtain a microscopic understanding of the superconducting properties. Using the technique angle-resolved photoemission spectroscopy (ARPES) one measures the electrons ejected from a sample when photons impinge on it. In this way one can map the Fermi surface which provides useful information regarding the physics behind the Fermi surface topology of high T{sub c} superconductors. Furthermore, this technique provides information on the band dispersion, the orbital character of the bands, the effective mass, the coupling to bosonic excitations, and the superconducting gap. This emphasizes the importance of studying the electronic structure of the newly discovered Fe-pnictides using ARPES. In this work we have

Collective motions and band structures in A = 60 to 80, even--even nuclei

International Nuclear Information System (INIS)

Hamilton, J.H.; Robinson, R.L.; Ramayya, A.V.

1978-01-01

Evidence for and the theoretical understanding of the richness of the collective band structures as illustrated by at least seven bands seen in levels of 68 Ge, 74 Se are reviewed. The experimental data on even-even nuclei in the A = 60 to 80 region have now revealed a wide variety of collective bands with different structures. The even parity yrast cascades alone are seen to involve multiple collective structures. In addition to the ground-state bands, strong evidence is presented for both neutron and proton rotation-aligned bands built on the same orbital, (g 9 / 2 ) 2 , in one nucleus. Several other nuclei also show the crossing of RAL bands around the 8 + level in this region. Evidence continues to be strong experimentally and supported theoretically that there is some type of shape transition and shape coexistence occurring now both in the Ge and Se isotopes around N = 40. Negative parity bands with odd and even spins with very collective nature are seen in several nuclei to high spin. These bands seem best understood in the RAL model. Very collective bands with ΔI = 1, extending from 2 + to 9 + are seen with no rotation-alignment. The purity of these bands and their persistence to such high spin establish them as an independent collective mode which is best described as a gamma-type vibration band in a deformed nucleus. In addition to all of the above bands, new bands are seen in 76 Kr and 74 Se. The nature of these bands is not presently known. 56 references

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

Science.gov (United States)

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.

Hubbard-U band-structure methods

DEFF Research Database (Denmark)

Albers, R.C.; Christensen, Niels Egede; Svane, Axel

2009-01-01

The last decade has seen a large increase in the number of electronic-structure calculations that involve adding a Hubbard term to the local-density approximation band-structure Hamiltonian. The Hubbard term is then determined either at the mean-field level or with sophisticated many......-body techniques such as using dynamical mean-field theory. We review the physics underlying these approaches and discuss their strengths and weaknesses in terms of the larger issues of electronic structure that they involve. In particular, we argue that the common assumptions made to justify such calculations...

Structure of collective bands and deformations in 74,76Kr

International Nuclear Information System (INIS)

Tripathy, K.C.; Sahu, R.

2000-01-01

The structure of collective bands in 74,76 Kr is studied within the framework of the deformed configuration mixing shell model based on Hartree-Fock states. The active single-particle orbits are 1p 3/2 , 0f 5/2 , 1p 1/2 and 0g 9/2 with 56 Ni as the inert core. A modified Kuo interaction has been used for the above configuration space. The 74 Kr nucleus is found to be the most deformed nucleus among the krypton isotopes which is in agreement with experiment. The deformation is found to decrease for the 76 Kr isotope. The calculated positive- and negative-parity bands agree quite well with the experiment for both the nuclei. A number of excited bands is also predicted. We have also calculated B(E2) values and compared them with available experimental data. The structure of the strongly coupled band built on K = 4 (+) in 76 Kr is also studied. (author)

Fermi edge singularity evidence from photoluminescence spectroscopy of AlGaAs/InGaAs/GaAs pseudomorphic HEMTs grown on (3 1 1)A GaAs substrates

International Nuclear Information System (INIS)

Rekaya, S.; Sfaxi, L.; Bru-Chevallier, C.; Maaref, H.

2011-01-01

InGaAs/AlGaAs/GaAs pseudomorphic high electron mobility transistor (P-HEMT) structures were grown by Molecular Beam Epitaxy (MBE) on (3 1 1)A GaAs substrates with different well widths, and studied by photoluminescence (PL) spectroscopy as a function of temperature and excitation density. The PL spectra are dominated by one or two spectral bands, corresponding, respectively, to one or two populated electron sub-bands in the InGaAs quantum well. An enhancement of PL intensity at the Fermi level energy (E F ) in the high-energy tail of the PL peak is clearly observed and associated with the Fermi edge singularity (FES). This is practically detected at the same energy for all samples, in contrast with energy transitions in the InGaAs channel, which are shifted to lower energy with increasing channel thickness. PL spectra at low temperature and low excitation density are used to optically determine the density of the two-dimensional electron gas (2DEG) in the InGaAs channel for different thicknesses. The results show an enhancement of the 2DEG density when the well width increases, in good agreement with our previous theoretical study.

Photonic band structures in one-dimensional photonic crystals containing Dirac materials

International Nuclear Information System (INIS)

Wang, Lin; Wang, Li-Gang

2015-01-01

We have investigated the band structures of one-dimensional photonic crystals (1DPCs) composed of Dirac materials and ordinary dielectric media. It is found that there exist an omnidirectional passing band and a kind of special band, which result from the interaction of the evanescent and propagating waves. Due to the interface effect and strong dispersion, the electromagnetic fields inside the special bands are strongly enhanced. It is also shown that the properties of these bands are invariant upon the lattice constant but sensitive to the resonant conditions

Evidence for the complicated Fermi surface in 2H- and 4H-NbSe2

Indian Academy of Sciences (India)

Both single crystals show anisotropic ρ/ρ0, which are described by Kohler's rule, two-band model and magnetic breakdown model. In the present ... rule is derived only for the isotropic model of closed Fermi surface, it describes the .... [13] Witney D A, Fleming R M and Coleman R V 1976 Solid State. Commun. 18 399.

Quantum simulation of a Fermi-Hubbard model using a semiconductor quantum dot array

Science.gov (United States)

Hensgens, T.; Fujita, T.; Janssen, L.; Li, Xiao; van Diepen, C. J.; Reichl, C.; Wegscheider, W.; Das Sarma, S.; Vandersypen, L. M. K.

2017-08-01

Interacting fermions on a lattice can develop strong quantum correlations, which are the cause of the classical intractability of many exotic phases of matter. Current efforts are directed towards the control of artificial quantum systems that can be made to emulate the underlying Fermi-Hubbard models. Electrostatically confined conduction-band electrons define interacting quantum coherent spin and charge degrees of freedom that allow all-electrical initialization of low-entropy states and readily adhere to the Fermi-Hubbard Hamiltonian. Until now, however, the substantial electrostatic disorder of the solid state has meant that only a few attempts at emulating Fermi-Hubbard physics on solid-state platforms have been made. Here we show that for gate-defined quantum dots this disorder can be suppressed in a controlled manner. Using a semi-automated and scalable set of experimental tools, we homogeneously and independently set up the electron filling and nearest-neighbour tunnel coupling in a semiconductor quantum dot array so as to simulate a Fermi-Hubbard system. With this set-up, we realize a detailed characterization of the collective Coulomb blockade transition, which is the finite-size analogue of the interaction-driven Mott metal-to-insulator transition. As automation and device fabrication of semiconductor quantum dots continue to improve, the ideas presented here will enable the investigation of the physics of ever more complex many-body states using quantum dots.

Quantum simulation of a Fermi-Hubbard model using a semiconductor quantum dot array.

Science.gov (United States)

Hensgens, T; Fujita, T; Janssen, L; Li, Xiao; Van Diepen, C J; Reichl, C; Wegscheider, W; Das Sarma, S; Vandersypen, L M K

2017-08-02

Interacting fermions on a lattice can develop strong quantum correlations, which are the cause of the classical intractability of many exotic phases of matter. Current efforts are directed towards the control of artificial quantum systems that can be made to emulate the underlying Fermi-Hubbard models. Electrostatically confined conduction-band electrons define interacting quantum coherent spin and charge degrees of freedom that allow all-electrical initialization of low-entropy states and readily adhere to the Fermi-Hubbard Hamiltonian. Until now, however, the substantial electrostatic disorder of the solid state has meant that only a few attempts at emulating Fermi-Hubbard physics on solid-state platforms have been made. Here we show that for gate-defined quantum dots this disorder can be suppressed in a controlled manner. Using a semi-automated and scalable set of experimental tools, we homogeneously and independently set up the electron filling and nearest-neighbour tunnel coupling in a semiconductor quantum dot array so as to simulate a Fermi-Hubbard system. With this set-up, we realize a detailed characterization of the collective Coulomb blockade transition, which is the finite-size analogue of the interaction-driven Mott metal-to-insulator transition. As automation and device fabrication of semiconductor quantum dots continue to improve, the ideas presented here will enable the investigation of the physics of ever more complex many-body states using quantum dots.

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

Science.gov (United States)

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

The Luminosity Function of Fermi-detected Flat-Spectrum Radio Quasars

Energy Technology Data Exchange (ETDEWEB)

Ajello, M.; Shaw, M.S.; Romani, R.W.; Dermer, C.D.; Costamante, L.; King, O.G.; Max-Moerbeck, W.; Readhead, A.; Reimer, A.; Richards, J.L.; Stevenson, M.

2012-04-16

Fermi has provided the largest sample of {gamma}-ray selected blazars to date. In this work we use a complete sample of FSRQs detected during the first year of operation to determine the luminosity function (LF) and its evolution with cosmic time. The number density of FSRQs grows dramatically up to redshift {approx}0.5-2.0 and declines thereafter. The redshift of the peak in the density is luminosity dependent, with more luminous sources peaking at earlier times; thus the LF of {gamma}-ray FSRQs follows a luminosity-dependent density evolution similarly to that of radio-quiet AGN. Also using data from the Swift Burst Alert Telescope we derive the average spectral energy distribution of FSRQs in the 10 keV-100GeV band and show that there is no correlation of the peak {gamma}-ray luminosity with {gamma}-ray peak frequency. The coupling of the SED and LF allows us to predict that the contribution of FSRQs to the Fermi isotropic {gamma}-ray background is 9.3{sub -1.0}{sup +1.6}% ({+-}3% systematic uncertainty) in the 0.1-100GeV band. Finally we determine the LF of unbeamed FSRQs, finding that FSRQs have an average Lorentz factor of {gamma} = 11.7{sub -2.2}{sup +3.3}, that most are seen within 5{sup o} of the jet axis, and that they represent only {approx}0.1% of the parent population.

Thermal gravitational radiation of Fermi gases and Fermi liquids

International Nuclear Information System (INIS)

Schafer, G.; Dehnen, H.

1983-01-01

In view of neutron stars the gravitational radiation power of the thermal ''zero-sound'' phonons of a Fermi liquid and the gravitational bremsstrahlung of a degenerate Fermi gas is calculated on the basis of a hard-sphere Fermi particle model. We find for the gravitational radiation power per unit volume P/sub( s/)approx. =[(9π)/sup 1/3//5] x GQ n/sup 5/3/(kT) 4 h 2 c 5 and P/sub( g/)approx. =(4 5 /5 3 )(3/π)/sup 2/3/ G a 2 n/sup 5/3/(kT) 4 /h 2 c 5 for the cases of ''zero sound'' and bremsstrahlung, respectively. Here Q = 4πa 2 is the total cross section of the hard-sphere fermions, where a represents the radius of their hard-core potential. The application to very young neutron stars results in a total gravitational luminosity of about 10 31 erg/sec

Instabilities of a Fermi gas with nested Fermi surfaces

Energy Technology Data Exchange (ETDEWEB)

Schlottmann, Pedro [Department of Physics, Florida State University, Tallahassee, FL (United States)

2018-01-15

The nesting of the Fermi surfaces of an electron and a hole pocket separated by a vector Q commensurate with the lattice in conjunction with the interaction between the quasiparticles can give rise to a rich phase diagram. Of particular importance is itinerant antiferromagnetic order in the context of pnictides and heavy fermion compounds. By mismatching the nesting the order can gradually be suppressed and as the Neel temperature tends to zero a quantum critical point is obtained. A superconducting dome above the quantum critical point can be induced by the transfer of pairs of electrons between the pockets. The conditions under which such a dome arises are studied. In addition numerous other phases may arise, e.g. charge density waves, non-Fermi liquid behavior, non-s-wave superconductivity, Pomeranchuk instabilities of the Fermi surface, nematic order, and phases with persistent orbital currents. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Stability of the split-band solution and energy gap in the narrow-band region of the Hubbard model

International Nuclear Information System (INIS)

Arai, T.; Cohen, M.H.

1980-01-01

By inserting quasielectron energies ω calculated from the fully renormalized Green's function of the Hubbard model obtained in the preceding paper into the exact expression of Galitskii and Migdal, the ground-state energy, the chemical potential, and the dynamic- and thermodynamic-stability conditions are calculated in the narrow-band region. The results show that as long as the interaction energy I is finite, electrons in the narrow-band region do not obey the Landau theory of Fermi liquids, and a gap appears between the lowest quasielectron energy ω and the chemical potential μ for any occupation n, regardless of whether the lower band is exactly filled or not. This unusual behavior is possible because, when an electron is added to the system of N electrons, the whole system relaxes due to the strong interaction, introducing a relaxation energy difference between the two quantities. We also show that all previous solutions which exhibit the split-band structure, including Hubbard's work, yield the same conclusion that electrons do not behave like Landau quasiparticles. However, the energy gap is calculated to be negative at least for some occupations n, demonstrating the dynamic instability of those solutions. They also exhibit thermodynamic instability for certain occupations, while the fully renormalized solution, having sufficient electron correlations built in, satisfies the dynamic and thermodynamic stability conditions for all occupations. When the lower band is nearly filled, the nature of the solution is shown to change, making the coherent motion of electrons with fixed k values more difficult. In the pathological limit where I=infinity, however, the gap vanishes, yielding a metallic state

Electronic band structure in porous silicon studied by photoluminescence and photoluminescence excitation spectroscopy

International Nuclear Information System (INIS)

Lee, Ki-Won; Kim, Young-You

2004-01-01

In this research, we used photoluminescence (PL) and photoluminescence excitation (PLE) to visualize the electronic band structure in porous silicon (PS). From the combined results of the PLE measurements at various PL emission energies and the PL measurements under excitation at various PLE absorption energies, we infer that three different electronic band structures, originating from different luminescent origins, give rise to the PL spectrum. Through either thermal activation or diffusive transfer, excited carriers are moved to each of the electronic band structures.

A Compact UWB Band-Pass Filter Using Embedded Circular Slot Structures for Improved Upper Stop-band Performance

DEFF Research Database (Denmark)

Shen, Ming; Ren, Jian; Mikkelsen, Jan Hvolgaard

2016-01-01

structures into the ring resonator. This is different from conventional designs using cascaded bandstop/low-pass filters for stop-band response suppression, which usually leads to big circuit sizes. And hence the proposed approach can reduce the circuit size significantly. A prototype filter with a compact...... size (13.6 mm×6.75 mm) has been implemented for experimental validation. The measured results show a −3 dB frequency band from 3.4 GHz to 11.7 GHz and > 20 dB upper stop-band suppression from 12.5 GHz to 20GHz....

Electronic structures and superconductivity in LuTE2Si2 phases (TE = d-electron transition metal)

Science.gov (United States)

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

2018-05-01

In the course of our search for unconventional superconductors amidst the 1:2:2 phases, we have re-investigated the LuTE2Si2 compounds with TE = Fe, Co, Ni, Ru, Pd and Pt. In this paper, we present the results of our fully relativistic ab initio calculations of the band structures, performed using the full-potential local-orbital code. The theoretical data are supplemented by the results of low-temperature electrical transport and specific heat measurements performed down to 0.35 K. All the materials studied but LuPt2Si2 crystallize with the body-centered tetragonal ThCr2Si2-type structure (space group I4/mmm). Their Fermi surfaces exhibit a three-dimensional multi-band character. In turn, the Pt-bearing compound adopts the primitive tetragonal CaBe2Ge2-type structure (space group P4/nmm), and its Fermi surface consists of predominantly quasi-two-dimensional sheets. Bulk superconductivity was found only in LuPd2Si2 and LuPt2Si2 (independent of the structure type and dimensionality of the Fermi surface). The key superconducting characteristics indicate a fully-gapped BCS type character. Though the electronic structure of LuFe2Si2 closely resembles that of the unconventional superconductor YFe2Ge2, this Lu-based silicide exhibits neither superconductivity nor spin fluctuations at least down to 0.35 K.

Electronic structure of Sr2RuO4 studied by angle-resolved photoemission spectroscopy

International Nuclear Information System (INIS)

Iwasawa, H.; Aiura, Y.; Saitoh, T.; Yoshida, Y.; Hase, I.; Ikeda, S.I.; Bando, H.; Kubota, M.; Ono, K.

2007-01-01

Electronic structure of the monolayer strontium ruthenate Sr 2 RuO 4 was investigated by high-resolution angle-resolved photoemission spectroscopy. We present photon-energy (hν) dependence of the electronic structure near the Fermi level along the ΓM line. The hν dependence has shown a strong spectral weight modulation of the Ru 4d xy and 4d zx bands

Topological Classification of Crystalline Insulators through Band Structure Combinatorics

Science.gov (United States)

Kruthoff, Jorrit; de Boer, Jan; van Wezel, Jasper; Kane, Charles L.; Slager, Robert-Jan

2017-10-01

We present a method for efficiently enumerating all allowed, topologically distinct, electronic band structures within a given crystal structure in all physically relevant dimensions. The algorithm applies to crystals without time-reversal, particle-hole, chiral, or any other anticommuting or anti-unitary symmetries. The results presented match the mathematical structure underlying the topological classification of these crystals in terms of K -theory and therefore elucidate this abstract mathematical framework from a simple combinatorial perspective. Using a straightforward counting procedure, we classify all allowed topological phases of spinless particles in crystals in class A . Employing this classification, we study transitions between topological phases within class A that are driven by band inversions at high-symmetry points in the first Brillouin zone. This enables us to list all possible types of phase transitions within a given crystal structure and to identify whether or not they give rise to intermediate Weyl semimetallic phases.

A tribute to Enrico Fermi

Energy Technology Data Exchange (ETDEWEB)

Kubbinga, H. [Groningen Univ. (Netherlands)

2009-07-01

This article is a short biography of Enrico Fermi 'The Pope of physics'. His main contributions in theoretical physics have paved the way to quantum electrodynamics and the quantization of the fields. Fermi got also great achievements on beta decay process and on nuclear reactions brought about by slow neutrons. Fermi was awarded the Nobel prize of physics in 1938

Solving complex band structure problems with the FEAST eigenvalue algorithm

Science.gov (United States)

Laux, S. E.

2012-08-01

With straightforward extension, the FEAST eigenvalue algorithm [Polizzi, Phys. Rev. B 79, 115112 (2009)] is capable of solving the generalized eigenvalue problems representing traveling-wave problems—as exemplified by the complex band-structure problem—even though the matrices involved are complex, non-Hermitian, and singular, and hence outside the originally stated range of applicability of the algorithm. The obtained eigenvalues/eigenvectors, however, contain spurious solutions which must be detected and removed. The efficiency and parallel structure of the original algorithm are unaltered. The complex band structures of Si layers of varying thicknesses and InAs nanowires of varying radii are computed as test problems.

Electronic structure and electron momentum density in TiSi

Energy Technology Data Exchange (ETDEWEB)

Ghaleb, A.M. [Department of Physics, College of Science, University of Kirkuk, Kirkuk (Iraq); Mohammad, F.M. [Department of Physics, College of Science, University of Tikreet, Tikreet (Iraq); Sahariya, Jagrati [Department of Physics, University College of Science, M.L. Sukhadia University, Udaipur 313001, Rajasthan (India); Sharma, Mukesh [Physics Division, Forensic Science Laboratory, Jaipur, Rajasthan (India); Ahuja, B.L., E-mail: blahuja@yahoo.com [Department of Physics, University College of Science, M.L. Sukhadia University, Udaipur 313001, Rajasthan (India)

2013-03-01

We report the electron momentum density in titanium monosilicide using {sup 241}Am Compton spectrometer. Experimental Compton profile has been compared with the theoretical profiles computed using linear combination of atomic orbitals (LCAO). The energy bands, density of states and Fermi surface structures of TiSi are reported using the LCAO and the full potential linearized augmented plane wave methods. Theoretical anisotropies in directional Compton profiles are interpreted in terms of energy bands. To confirm the conducting behavior, we also report the real space analysis of experimental Compton profile of TiSi.

Band structure and phonon properties of lithium fluoride at high pressure

Energy Technology Data Exchange (ETDEWEB)

Panchal, J. M., E-mail: amitjignesh@yahoo.co.in [Government Engineering College, Gandhinagar 382028, Gujarat (India); Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India); Joshi, Mitesh [Government Polytechnic for Girls, Athwagate, Surat395001, Gujarat (India); Gajjar, P. N., E-mail: pngajjar@rediffmail.com [Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)

2016-05-23

High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

Band structure and phonon properties of lithium fluoride at high pressure

International Nuclear Information System (INIS)

Panchal, J. M.; Joshi, Mitesh; Gajjar, P. N.

2016-01-01

High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

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

Science.gov (United States)

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.

Two-dimensional microwave band-gap structures of different ...

Indian Academy of Sciences (India)

- stant and/or magnetic permeability (or in particular impedance) are periodic and the propagation of electromagnetic waves is forbidden at certain frequencies when allowed to pass through these structures. This is similar to the electronic band.

Fermi points and topological quantum phase transitions in a multi-band superconductor.

Science.gov (United States)

Puel, T O; Sacramento, P D; Continentino, M A

2015-10-28

The importance of models with an exact solution for the study of materials with non-trivial topological properties has been extensively demonstrated. The Kitaev model plays a guiding role in the search for Majorana modes in condensed matter systems. Also, the sp-chain with an anti-symmetric mixing among the s and p bands is a paradigmatic example of a topological insulator with well understood properties. Interestingly, these models share the same universality class for their topological quantum phase transitions. In this work we study a two-band model of spinless fermions with attractive inter-band interactions. We obtain its zero temperature phase diagram, which presents a rich variety of phases including a Weyl superconductor and a topological insulator. The transition from the topological to the trivial superconducting phase has critical exponents different from those of Kitaev's model.

Quantitative vs. qualitative approaches to the electronic structure of solids

International Nuclear Information System (INIS)

Oliva, J.M.; Llunell, Miquel; Alemany, Pere; Canadell, Enric

2003-01-01

The usefulness of qualitative and quantitative theoretical approaches in solid state chemistry is discussed by considering three different types of problems: (a) the distribution of boron and carbon atoms in MB 2 C 2 (M=Ca, La, etc.) phases, (b) the band structure and Fermi surface of low-dimensional transition metal oxides and bronzes, and (c) the correlation between the crystal and electronic structure of the ternary nitride Ca 2 AuN

First-Principles Study on the Structural and Electronic Properties of N Atoms Doped-Rutile TiO2 of Oxygen Vacancies

Directory of Open Access Journals (Sweden)

Zhong-Liang Zeng

2015-01-01

Full Text Available For the propose of considering the actual situation of electronic neutral, a simulation has been down on the basis of choosing the position of dual N and researching the oxygen vacancy. It is found that the reason why crystal material gets smaller is due to the emergence of impurity levels. By introducing the oxygen vacancy to the structure, the results show that while the oxygen vacancy is near the two nitrogen atoms which have a back to back position, its energy gets the lowest level and its structure gets the most stable state. From its energy band structure and density, the author finds that the impurity elements do not affect the migration of Fermi level while the oxygen vacancy has been increased. Instead of that, the conduction band of metal atoms moves to the Fermi level and then forms the N-type semiconductor material, but the photocatalytic activity is not as good as the dual N-doping state.

Analysis of photonic band-gap (PBG) structures using the FDTD method

DEFF Research Database (Denmark)

Tong, M.S.; Cheng, M.; Lu, Y.L.

2004-01-01

In this paper, a number of photonic band-gap (PBG) structures, which are formed by periodic circuit elements printed oil transmission-line circuits, are studied by using a well-known numerical method, the finite-difference time-domain (FDTD) method. The results validate the band-stop filter...... behavior of these structures, and the computed results generally match well with ones published in the literature. It is also found that the FDTD method is a robust, versatile, and powerful numerical technique to perform such numerical studies. The proposed PBG filter structures may be applied in microwave...

Fermi comes to CERN

CERN Multimedia

NASA

2009-01-01

1. This view from NASA's Fermi Gamma-ray Space Telescope is the deepest and best-resolved portrait of the gamma-ray sky to date. The image shows how the sky appears at energies more than 150 million times greater than that of visible light. Among the signatures of bright pulsars and active galaxies is something familiar -- a faint path traced by the sun. (Credit: NASA/DOE/Fermi LAT Collaboration) 2. The Large Area Telescope (LAT) on Fermi detects gamma-rays through matter (electrons) and antimatter (positrons) they produce after striking layers of tungsten. (Credit: NASA/Goddard Space Flight Center Conceptual Image Lab)

Research on the Band Gap Characteristics of Two-Dimensional Phononic Crystals Microcavity with Local Resonant Structure

Directory of Open Access Journals (Sweden)

Mao Liu

2015-01-01

Full Text Available A new two-dimensional locally resonant phononic crystal with microcavity structure is proposed. The acoustic wave band gap characteristics of this new structure are studied using finite element method. At the same time, the corresponding displacement eigenmodes of the band edges of the lowest band gap and the transmission spectrum are calculated. The results proved that phononic crystals with microcavity structure exhibited complete band gaps in low-frequency range. The eigenfrequency of the lower edge of the first gap is lower than no microcavity structure. However, for no microcavity structure type of quadrilateral phononic crystal plate, the second band gap disappeared and the frequency range of the first band gap is relatively narrow. The main reason for appearing low-frequency band gaps is that the proposed phononic crystal introduced the local resonant microcavity structure. This study provides a good support for engineering application such as low-frequency vibration attenuation and noise control.

Tuning the band gap in hybrid tin iodide perovskite semiconductors using structural templating.

Science.gov (United States)

Knutson, Jeremy L; Martin, James D; Mitzi, David B

2005-06-27

Structural distortions within the extensive family of organic/inorganic hybrid tin iodide perovskite semiconductors are correlated with their experimental exciton energies and calculated band gaps. The extent of the in- and out-of-plane angular distortion of the SnI4(2-) perovskite sheets is largely determined by the relative charge density and steric requirements of the organic cations. Variation of the in-plane Sn-I-Sn bond angle was demonstrated to have the greatest impact on the tuning of the band gap, and the equatorial Sn-I bond distances have a significant secondary influence. Extended Hückel tight-binding band calculations are employed to decipher the crystal orbital origins of the structural effects that fine-tune the band structure. The calculations suggest that it may be possible to tune the band gap by as much as 1 eV using the templating influence of the organic cation.

The MARS15-based FermiCORD code system for calculation of the accelerator-induced residual dose

Energy Technology Data Exchange (ETDEWEB)

Grebe, A.; Leveling, A.; Lu, T.; Mokhov, N.; Pronskikh, V.

2018-01-01

The FermiCORD code system, a set of codes based on MARS15 that calculates the accelerator-induced residual doses at experimental facilities of arbitrary configurations, has been developed. FermiCORD is written in C++ as an add-on to Fortran-based MARS15. The FermiCORD algorithm consists of two stages: 1) simulation of residual doses on contact with the surfaces surrounding the studied location and of radionuclide inventories in the structures surrounding those locations using MARS15, and 2) simulation of the emission of the nuclear decay gamma-quanta by the residuals in the activated structures and scoring the prompt doses of these gamma-quanta at arbitrary distances from those structures. The FermiCORD code system has been benchmarked against similar algorithms based on other code systems and showed a good agreement. The code system has been applied for calculation of the residual dose of the target station for the Mu2e experiment and the results have been compared to approximate dosimetric approaches.

Study of multi-quasiparticle band structures in 197Tl using α beam

International Nuclear Information System (INIS)

Mukherjee, G.; Nandi, S.; Pai, H.

2016-01-01

Study of the multi-quasiparticle (qp) states and the band structures built on them in the neutron deficient Tl nuclei in A ∼ 190 mass region provides useful information on particle-hole interaction in the heavy nuclei. In order to investigate the multi-qp band structures we have studied the excited states in 197 Tl by gamma ray spectroscopy

Angle-resolved photoemission study and first-principles calculation of the electronic structure of LaSb2

International Nuclear Information System (INIS)

Acatrinei, Alice I; Browne, D; Losovyj, Y B; Young, D P; Moldovan, M; Chan, Julia Y; Sprunger, P T; Kurtz, Richard L

2003-01-01

In this work we present valence band studies of LaSb 2 using angle-resolved photoelectron spectroscopy with synchrotron radiation and compare these data with band structure calculations. Valence band spectra reveal that Sb 5p states are dominant near the Fermi level and are hybridized with the La 5d states just below. The calculations show a fair agreement with the experimentally determined valence band spectra, allowing an identification of the observed features. We measured some dispersion for kbar, especially for Sb 5p states; no significant dispersion was found for k || . (letter to the editor)

Fermi level position, Coulomb gap, and Dresselhaus splitting in (Ga,Mn)As

Science.gov (United States)

Souma, S.; Chen, L.; Oszwałdowski, R.; Sato, T.; Matsukura, F.; Dietl, T.; Ohno, H.; Takahashi, T.

2016-01-01

Carrier-induced nature of ferromagnetism in a ferromagnetic semiconductor, (Ga,Mn)As, offers a great opportunity to observe novel spin-related phenomena as well as to demonstrate new functionalities of spintronic devices. Here, we report on low-temperature angle-resolved photoemission studies of the valence band in this model compound. By a direct determination of the distance of the split-off band to the Fermi energy EF we conclude that EF is located within the heavy/light hole band. However, the bands are strongly perturbed by disorder and disorder-induced carrier correlations that lead to the Coulomb gap at EF, which we resolve experimentally in a series of samples, and show that its depth and width enlarge when the Curie temperature decreases. Furthermore, we have detected surprising linear magnetic dichroism in photoemission spectra of the split-off band. By a quantitative theoretical analysis we demonstrate that it arises from the Dresselhaus-type spin-orbit term in zinc-blende crystals. The spectroscopic access to the magnitude of such asymmetric part of spin-orbit coupling is worthwhile, as they account for spin-orbit torque in spintronic devices of ferromagnets without inversion symmetry. PMID:27265402

Fermi level position, Coulomb gap, and Dresselhaus splitting in (Ga,Mn)As.

Science.gov (United States)

Souma, S; Chen, L; Oszwałdowski, R; Sato, T; Matsukura, F; Dietl, T; Ohno, H; Takahashi, T

2016-06-06

Carrier-induced nature of ferromagnetism in a ferromagnetic semiconductor, (Ga,Mn)As, offers a great opportunity to observe novel spin-related phenomena as well as to demonstrate new functionalities of spintronic devices. Here, we report on low-temperature angle-resolved photoemission studies of the valence band in this model compound. By a direct determination of the distance of the split-off band to the Fermi energy EF we conclude that EF is located within the heavy/light hole band. However, the bands are strongly perturbed by disorder and disorder-induced carrier correlations that lead to the Coulomb gap at EF, which we resolve experimentally in a series of samples, and show that its depth and width enlarge when the Curie temperature decreases. Furthermore, we have detected surprising linear magnetic dichroism in photoemission spectra of the split-off band. By a quantitative theoretical analysis we demonstrate that it arises from the Dresselhaus-type spin-orbit term in zinc-blende crystals. The spectroscopic access to the magnitude of such asymmetric part of spin-orbit coupling is worthwhile, as they account for spin-orbit torque in spintronic devices of ferromagnets without inversion symmetry.

Berry Fermi liquid theory

Energy Technology Data Exchange (ETDEWEB)

Chen, Jing-Yuan, E-mail: chjy@uchicago.edu [Kadanoff Center for Theoretical Physics, University of Chicago, Chicago, IL 60637 (United States); Stanford Institute for Theoretical Physics, Stanford University, CA 94305 (United States); Son, Dam Thanh, E-mail: dtson@uchicago.edu [Kadanoff Center for Theoretical Physics, University of Chicago, Chicago, IL 60637 (United States)

2017-02-15

We develop an extension of the Landau Fermi liquid theory to systems of interacting fermions with non-trivial Berry curvature. We propose a kinetic equation and a constitutive relation for the electromagnetic current that together encode the linear response of such systems to external electromagnetic perturbations, to leading and next-to-leading orders in the expansion over the frequency and wave number of the perturbations. We analyze the Feynman diagrams in a large class of interacting quantum field theories and show that, after summing up all orders in perturbation theory, the current–current correlator exactly matches with the result obtained from the kinetic theory. - Highlights: • We extend Landau’s kinetic theory of Fermi liquid to incorporate Berry phase. • Berry phase effects in Fermi liquid take exactly the same form as in Fermi gas. • There is a new “emergent electric dipole” contribution to the anomalous Hall effect. • Our kinetic theory is matched to field theory to all orders in Feynman diagrams.

Fermi

Data.gov (United States)

National Aeronautics and Space Administration — Fermi is a powerful space observatory that will open a wide window on the universe. Gamma rays are the highest-energy form of light, and the gamma-ray sky is...

Study of interfaces and band offsets in TiN/amorphous LaLuO3 gate stacks

KAUST Repository

Mitrovic, Ivona Z.

2011-07-01

TiN/LaLuO3 (LLO) gate stacks formed by molecular beam deposition have been investigated by X-ray photoelectron spectroscopy, medium energy ion scattering, spectroscopic ellipsometry, scanning transmission electron microscopy, electron energy loss spectroscopy and atomic force microscopy. The results indicate an amorphous structure for deposited LLO films. The band offset between the Fermi level of TiN and valence band of LLO is estimated to be 2.65 ± 0.05 eV. A weaker La-O-Lu bond and a prominent Ti2p sub-peak which relates to Ti bond to interstitial oxygen have been identified for an ultra-thin 1.7 nm TiN/3 nm LLO gate stack. The angle-dependent XPS analysis of Si2s spectra as well as shifts of La4d, La3d and Lu4d core levels suggests a silicate-type with Si-rich SiOx LLO/Si interface. Symmetrical valence and conduction band offsets for LLO to Si of 2.2 eV and the bandgap of 5.5 ± 0.1 eV have been derived from the measurements. The band alignment for ultra-thin TiN/LLO gate stack is affected by structural changes. Copyright © 2011 Published by Elsevier B.V. All rights reserved.

Electronic band structure of magnetic bilayer graphene superlattices

International Nuclear Information System (INIS)

Pham, C. Huy; Nguyen, T. Thuong; Nguyen, V. Lien

2014-01-01

Electronic band structure of the bilayer graphene superlattices with δ-function magnetic barriers and zero average magnetic flux is studied within the four-band continuum model, using the transfer matrix method. The periodic magnetic potential effects on the zero-energy touching point between the lowest conduction and the highest valence minibands of pristine bilayer graphene are exactly analyzed. Magnetic potential is shown also to generate the finite-energy touching points between higher minibands at the edges of Brillouin zone. The positions of these points and the related dispersions are determined in the case of symmetric potentials.

Band structure and optical properties of opal photonic crystals

OpenAIRE

Pavarini, E.; Andreani, L. C.; Soci, C.; Galli, M.; Marabelli, F.; Comoretto, D.

2005-01-01

A theoretical approach for the interpretation of reflectance spectra of opal photonic crystals with fcc structure and (111) surface orientation is presented. It is based on the calculation of photonic bands and density of states corresponding to a specified angle of incidence in air. The results yield a clear distinction between diffraction in the direction of light propagation by (111) family planes (leading to the formation of a stop band) and diffraction in other directions by higher-order...

Conductors with small Fermi energies and small gap energies

International Nuclear Information System (INIS)

Thorn, R.J.

1993-01-01

If the Fermi energy is of the order of meV's, the usual treatment of the density of free electrons is not valid, but use can be made of an averaged density of states that depends weakly on temperature, so that the temperature variation of the conductivity can be expressed by the equation: σ congruent CT (1-s) 1n{[(exp(βE f ) + 1)/2][exp(-β(E g - E f )) + 1)]} in which E f is the Fermi energy, E g is the top of the energy gap for thermal activation, s is the exponent of the temperature-dependent scattering. This equation serves to define a class of solids consisting of a microcomposite with a narrow conduction band for which E f of the order of ceV's or less and a thermal activated conduction for which E g is of the order of ceV's. It describes quantitatively the conductivity, σ(T;Δ, for YBa 2 Cu 3 O 7-Δ and σ(T;p) as the hydrostatic pressure p is varied for κ-(BEDT-TTF) 2 CuN(CN) 2 Br

Simulation of the Band Structure of Graphene and Carbon Nanotube

International Nuclear Information System (INIS)

Mina, Aziz N; Awadallah, Attia A; Ahmed, Riham R; Phillips, Adel H

2012-01-01

Simulation technique has been performed to simulate the band structure of both graphene and carbon nanotube. Accordingly, the dispersion relations for graphene and carbon nanotube are deduced analytically, using the tight binding model and LCAO scheme. The results from the simulation of the dispersion relation of both graphene and carbon nanotube were found to be consistent with those in the literature which indicates the correctness of the process of simulation technique. The present research is very important for tailoring graphene and carbon nanotube with specific band structure, in order to satisfy the required electronic properties of them.

High gradient test of X-band accelerating structure at GLCTA

International Nuclear Information System (INIS)

Watanabe, K.; Higo, T.; Hayano, H.; Terunuma, N.; Saeki, T.; Kudo, N.; Sanuki, T.; Seuhara, T.

2004-01-01

GLCTA (Global Linear Collider Test Accelerator) is the high power test facility for X-band acceleration. We have installed an X-band 60cm structure in April 2004 and have been processing it for more than 3 months. Now it is under test on long-term operation. We report here the installation process and high power test result to date. (author)

Band structures in two-dimensional phononic crystals with periodic Jerusalem cross slot

Science.gov (United States)

Li, Yinggang; Chen, Tianning; Wang, Xiaopeng; Yu, Kunpeng; Song, Ruifang

2015-01-01

In this paper, a novel two-dimensional phononic crystal composed of periodic Jerusalem cross slot in air matrix with a square lattice is presented. The dispersion relations and the transmission coefficient spectra are calculated by using the finite element method based on the Bloch theorem. The formation mechanisms of the band gaps are analyzed based on the acoustic mode analysis. Numerical results show that the proposed phononic crystal structure can yield large band gaps in the low-frequency range. The formation mechanism of opening the acoustic band gaps is mainly attributed to the resonance modes of the cavities inside the Jerusalem cross slot structure. Furthermore, the effects of the geometrical parameters on the band gaps are further explored numerically. Results show that the band gaps can be modulated in an extremely large frequency range by the geometry parameters such as the slot length and width. These properties of acoustic waves in the proposed phononic crystals can potentially be applied to optimize band gaps and generate low-frequency filters and waveguides.

Interacting Fermi gases in disordered one-dimensional lattices

International Nuclear Information System (INIS)

Xianlong, Gao; Polini, M.; Tosi, M. P.; Tanatar, B.

2006-01-01

Interacting two-component Fermi gases loaded in a one-dimensional (1D) lattice and subject to harmonic trapping exhibit intriguing compound phases in which fluid regions coexist with local Mott-insulator and/or band-insulator regions. Motivated by experiments on cold atoms inside disordered optical lattices, we present a theoretical study of the effects of a random potential on these ground-state phases. Within a density-functional scheme we show that disorder has two main effects: (i) it destroys the local insulating regions if it is sufficiently strong compared with the on-site atom-atom repulsion, and (ii) it induces an anomaly in the compressibility at low density from quenching of percolation

Surface-enhanced Raman scattering of dipolar molecules by the graphene Fermi surface modulation with different dipole moments

Science.gov (United States)

Zhang, Mingjia; Leng, Yandan; Huang, Jing; Yu, JiaoJiao; Lan, Zhenggang; Huang, Changshui

2017-12-01

We report the modulation of Raman scattering spectrum of chromophore/graphene hybrids by tunning the molecular polarization with different terminal groups (methyl, methoxy, nitrile, and two nitros). Based on the density functional theory, the specific dipole moment values of the chromophore molecules are calculated. An obvious surface-enhanced Raman scattering (SERS) was observed and the scattering intensity of molecule increases with enlarged dipole moment. According to the analysis of G band Raman shifts of graphene, the enhancement of the Raman signal can be attributed to strong electronic coupling between graphene and chromophore, which is closely related with the modulation of graphene Fermi surface by changing the dipole moment of the molecule. Besides, the optimization of the ground state geometry and the binding energy of the hybrids were also calculated with the Density Functional Based Tight Bonding (DFTB) method, which confirms that the enhanced Raman scattering of molecules on graphene arises from the improved energy level matching between graphene Fermi surface and molecular band, further providing a new way to design novel SERS devices.

Band structure and optical properties of opal photonic crystals

Science.gov (United States)

Pavarini, E.; Andreani, L. C.; Soci, C.; Galli, M.; Marabelli, F.; Comoretto, D.

2005-07-01

A theoretical approach for the interpretation of reflectance spectra of opal photonic crystals with fcc structure and (111) surface orientation is presented. It is based on the calculation of photonic bands and density of states corresponding to a specified angle of incidence in air. The results yield a clear distinction between diffraction in the direction of light propagation by (111) family planes (leading to the formation of a stop band) and diffraction in other directions by higher-order planes (corresponding to the excitation of photonic modes in the crystal). Reflectance measurements on artificial opals made of self-assembled polystyrene spheres are analyzed according to the theoretical scheme and give evidence of diffraction by higher-order crystalline planes in the photonic structure.

Role of Electronic Structure In Ion Band State Theory of Low Energy Nuclear Reactions

Science.gov (United States)

Chubb, Scott

2004-03-01

The Nuts and Bolts of our Ion Band State (IBS) theory of low energy nuclear reactions (LENR's) in palladium-deuteride (PdD) and palladium-hydride (PdH) are the electrons that hold together or tear apart the bonds (or lack of bonds) between deuterons (d's) or protons (p's) and the host material. In PdDx and PdH_x, this bonding is strongly correlated with loading: in ambient loading conditions (x< 0. 6), the bonding in hibits IBS occupation. As x arrow 1, slight increases and decreases in loading can lead to vibrations (which have conventionally been thought to occur from phonons) that can induce potential losses or increases of p/d. Naive assumptions about phonons fail to include these losses and increases. These effects can occur because neither H or D has core electrons and because in either PdD or PdH, the electrons near the Fermi Energy have negligible overlap with the nucleus of either D or H. I use these ideas to develop a formal justification, based on a generalization of conventional band theory (Scott Chubb, "Semi-Classical Conduction of Charged and Neutral Particles in Finite Lattices," 2004 March Meeting."), for the idea that occupation of IBS's can occur and that this can lead to nuclear reactions.

Experimental Studies of W-Band Accelerator Structures at High Field

Energy Technology Data Exchange (ETDEWEB)

Hill, Marc E

2001-02-09

A high-gradient electron accelerator is desired for high-energy physics research, where frequency scalings of breakdown and trapping of itinerant beamline particles dictates operation of the accelerator at short wavelengths. The first results of design and test of a high-gradient mm-wave linac with an operating frequency at 91.392 GHz (W-band) are presented. A novel approach to particle acceleration is presented employing a planar, dielectric lined waveguide used for particle acceleration. The traveling wave fields in the planar dielectric accelerator (PDA) are analyzed for an idealized structure, along with a circuit equivalent model used for understanding the structure as a microwave circuit. Along with the W-band accelerator structures, other components designed and tested are high power rf windows, high power attenuators, and a high power squeeze-type phase shifter. The design of the accelerator and its components where eased with the aide of numerical simulations using a finite-difference electromagnetic field solver. Manufacturing considerations of the small, delicate mm-wave components and the steps taken to reach a robust fabrication process are detailed. These devices were characterized under low power using a two-port vector network analyzer to verify tune and match, including measurements of the structures' fields using a bead-pull. The measurements are compared with theory throughout. Addition studies of the W-band structures were performed under high power utilizing a 11.424 GHz electron linac as a current source. Test results include W-band power levels of 200 kW, corresponding to fields in the PDA of over 20 MV/m, a higher gradient than any collider. Planar accelerator devices naturally have an rf quadrupole component of the accelerating field. Presented for the first time are the measurements of this effect.

Study of band structure in 78,80Sr using Triaxial Projected Shell Model

International Nuclear Information System (INIS)

Behera, N.; Naik, Z.; Bhat, G.H.; Sheikh, J.A.; Palit, R.; Sun, Y.

2017-01-01

The purpose of present work is to carry out a systematic study of the yrast-band and gamma-band structure for the even-even 78-80 Sr nuclei using Triaxial Projected Shell Model (TPSM) approach. These nuclei were chosen because 78 Sr has well developed side band(unassigned configuration) and 80 Sr has well developed band observed experimentally

Determination of the surface band bending in InxGa1−xN films by hard x-ray photoemission spectroscopy

Directory of Open Access Journals (Sweden)

Mickael Lozac'h, Shigenori Ueda, Shitao Liu, Hideki Yoshikawa, Sang Liwen, Xinqiang Wang, Bo Shen, Kazuaki Sakoda, Keisuke Kobayashi and Masatomo Sumiya

2013-01-01

Full Text Available Core-level and valence band spectra of InxGa1−xN films were measured using hard x-ray photoemission spectroscopy (HX-PES. Fine structure, caused by the coupling of the localized Ga 3d and In 4d with N 2s states, was experimentally observed in the films. Because of the large detection depth of HX-PES (~20 nm, the spectra contain both surface and bulk information due to the surface band bending. The InxGa1−xN films (x = 0–0.21 exhibited upward surface band bending, and the valence band maximum was shifted to lower binding energy when the mole fraction of InN was increased. On the other hand, downward surface band bending was confirmed for an InN film with low carrier density despite its n-type conduction. Although the Fermi level (EF near the surface of the InN film was detected inside the conduction band as reported previously, it can be concluded that EF in the bulk of the film must be located in the band gap below the conduction band minimum.

Bulk band structure of Bi2Te3

DEFF Research Database (Denmark)

Michiardi, Matteo; Aguilera, Irene; Bianchi, Marco

2014-01-01

-electron full-potential linearized augmented-plane-wave (FLAPW) formalism, fully taking into account spin-orbit coupling. Quasiparticle effects produce significant changes in the band structure of Bi2Te3 when compared to LDA. Experimental and calculated results are compared in the spectral regions where...

Impact ionisation rate calculations in wide band gap semiconductors

International Nuclear Information System (INIS)

Harrison, D.

1998-09-01

Calculations of band-to-band impact ionisation rates performed in the semi-classical Fermi's Golden Rule approximation are presented here for the semiconductors GaAs, In 0.53 Ga 0.47 As and Si 0.5 Ge 0.5 at 300K. The crystal band structure is calculated using the empirical pseudopotential method. To increase the speed with which band structure data at arbitrary k-vectors can be obtained, an interpolation scheme has been developed. Energies are quadratically interpolated on adapted meshes designed to ensure accuracy is uniform throughout the Brillouin zone, and pseudowavefunctions are quadratically interpolated on a regular mesh. Matrix elements are calculated from the pseudowavefunctions, and include the terms commonly neglected in calculations for narrow band gap materials and an isotropic approximation to the full wavevector and frequency dependent dielectric function. The numerical integration of the rate over all distinct energy and wavevector conserving transitions is performed using two different algorithms. Results from each are compared and found to be in good agreement, indicating that the algorithms are reliable. The rates for electrons and holes in each material are calculated as functions of the k-vector of the impacting carriers, and found to be highly anisotropic. Average rates for impacting carriers at a given energy are calculated and fitted to Keldysh-type expressions with higher than quadratic dependence of the rate on energy above threshold being obtained in all cases. The average rates calculated here are compared to results obtained by other workers, with reasonable agreement being obtained for GaAs, and poorer agreement obtained for InGaAs and SiGe. Possible reasons for the disagreement are investigated. The impact ionisation thresholds are examined and k-space and energy distributions of generated carriers are determined. The role of threshold anisotropy, variation in the matrix elements and the shape of the bands in determining

Fermi liquids from D-branes

OpenAIRE

Moshe RozaliDepartment of Physics and Astronomy, University of British Columbia, Vancouver, BC V6T 1Z1, Canada; Darren Smyth(Department of Physics and Astronomy, University of British Columbia, Vancouver, BC V6T 1Z1, Canada)

2014-01-01

We discuss finite density configurations on probe D-branes, in the presence of worldvolume fermions. To this end we consider a phenomenological model whose bosonic sector is governed by the DBI action, and whose charged sector is purely fermionic. In this model, we demonstrate the existence of a compact worldvolume embedding, stabilized by a Fermi surface on the D- brane. The finite density state in the boundary QFT is a Fermi-like liquid. We comment on the possibility of realizing non-Fermi ...

Specific heat of MgB2 in a one- and a two-band model from first-principles calculations

International Nuclear Information System (INIS)

Golubov, A.A.; Dolgov, O.V.; Jepsen, O.; Kong, Y.; Andersen, O.K.; Gibson, B.J.; Ahn, K.; Kremer, R.K.; Kortus, J.

2002-01-01

The heat capacity anomaly at the transition to superconductivity of the layered superconductor MgB 2 is compared to first-principles calculations with the Coulomb repulsion, μ*, as the only parameter which is fixed to give the measured T c . We solve the Eliashberg equations for both an isotropic one-band model and a two-band model with different superconducting gaps on the π-band anσd-band Fermi surfaces. The agreement with experiments is considerably better for the two-band model than for the one-band model. (author)

Some statistical aspects of the spinor field Fermi-Bose duality

Directory of Open Access Journals (Sweden)

V.M. Simulik

2012-12-01

Full Text Available The structure of 29-dimensional extended real Clifford-Dirac algebra, which has been introduced in our paper Phys. Lett. A, 2011, Vol. 375, 2479, is considered in brief. Using this algebra, the property of Fermi-Bose duality of the Dirac equation with nonzero mass is proved. It means that Dirac equation can describe not only the fermionic but also the bosonic states. The proof of our assertion based on the examples of bosonic symmetries, solutions and conservation laws is given. Some statistical aspects of the spinor field Fermi-Bose duality are discussed.

Band model for d- and f-metals

International Nuclear Information System (INIS)

Koelling, D.D.

1982-01-01

The application of band theory to metallic systems with d- and f-orbitals in the valence and conduction bands is discussed. Because such an application pushes theory and technique to their limits, several important features are briefly recapitulated. Within the transition metal systems, the elemental systems are used to discuss the fundamental formalism being applied and the newer directions into more complex systems are mentioned. Here we focus more on anisotropic properties and Fermi surface properties. Within the f-orbital systems, the focus is more on Ce and its compounds because of current interest with a relatively brief discussion of the actinides. the point of view advanced, however, has its origins in actinide research

Universal behavior of strongly correlated Fermi systems

Energy Technology Data Exchange (ETDEWEB)

Shaginyan, Vasilii R [B.P. Konstantinov St. Petersburg Institute of Nuclear Physics, Russian Academy of Sciences, Gatchina, Leningrad region, Rusian Federation (Russian Federation); Amusia, M Ya [A.F. Ioffe Physico-Technical Institute, Russian Academy of Sciences, St. Petersburg (Russian Federation); Popov, Konstantin G [Komi Scientific Center, Ural Branch of the Russian Academy of Sciences, Syktyvkar (Russian Federation)

2007-06-30

This review discusses the construction of a theory and the analysis of phenomena occurring in strongly correlated Fermi systems such as high-T{sub c} superconductors, heavy-fermion metals, and quasi-two-dimensional Fermi systems. It is shown that the basic properties and the universal behavior of strongly correlated Fermi systems can be described in the framework of the Fermi-condensate quantum phase transition and the well-known Landau paradigm of quasiparticles and the order parameter. The concept of fermion condensation may be fruitful in studying neutron stars, finite Fermi systems, ultra-cold gases in traps, and quark plasma. (reviews of topical problems)

Universal behavior of strongly correlated Fermi systems

International Nuclear Information System (INIS)

Shaginyan, Vasilii R; Amusia, M Ya; Popov, Konstantin G

2007-01-01

This review discusses the construction of a theory and the analysis of phenomena occurring in strongly correlated Fermi systems such as high-T c superconductors, heavy-fermion metals, and quasi-two-dimensional Fermi systems. It is shown that the basic properties and the universal behavior of strongly correlated Fermi systems can be described in the framework of the Fermi-condensate quantum phase transition and the well-known Landau paradigm of quasiparticles and the order parameter. The concept of fermion condensation may be fruitful in studying neutron stars, finite Fermi systems, ultra-cold gases in traps, and quark plasma. (reviews of topical problems)

The structure of collective bands in 72Ge

International Nuclear Information System (INIS)

Tripathy, K.C.; Sahu, R.

1999-01-01

In recent years, extensive experimental studies of nuclei in the mass region A=80 have led to exciting discoveries of large ground state deformations, coexistence of shapes, band crossings, rapid variations of structure with changing nucleon numbers etc. A theoretical study of 72 Ge is presented

Design for maximum band-gaps in beam structures

DEFF Research Database (Denmark)

Olhoff, Niels; Niu, Bin; Cheng, Gengdong

2012-01-01

This paper aims to extend earlier optimum design results for transversely vibrating Bernoulli-Euler beams by determining new optimum band-gap beam structures for (i) different combinations of classical boundary conditions, (ii) much larger values of the orders n and n-1 of adjacent upper and lower...

High Power Test of an X-Band Slotted-IRIS Accelerator Structure at NLCTA

International Nuclear Information System (INIS)

Doebert, S.; Fandos, R.; Grudiev, A.; Heikkinen, S.; Rodriquez, J.A.; Taborelli, M.; Wuensch, W.; Adolphsen, Chris E.; Laurent, L.

2007-01-01

The CLIC study group at CERN has built two X-band HDS (hybrid damped structure) accelerating structures for high-power testing in NLCTA at SLAC. These accelerating structures are novel with respect to their rf- design and their fabrication technique. The eleven-cell constant impedance structures, one made out of copper and one out of molybdenum, are assembled from clamped high-speed milled quadrants. They feature the same heavy higher-order-mode damping as nominal CLIC structures achieved by slotted irises and radial damping waveguides for each cell. The X-band accelerators are exactly scaled versions of structures tested at 30 GHz in the CLIC test facility, CTF3. The results of the X-band tests are presented and compared to those at 30 GHz to determine frequency scaling, and are compared to the extensive copper data from the NLC structure development program to determine material dependence and make a basic validation of the HDS design

FERMI multi-chip module

CERN Multimedia

This FERMI multi-chip module contains five million transistors. 25 000 of these modules will handle the flood of information through parts of the ATLAS and CMS detectors at the LHC. To select interesting events for recording, crucial decisions are taken before the data leaves the detector. FERMI modules are being developed at CERN in partnership with European industry.

Band structure of hydrogenated Si nanosheets and nanotubes

International Nuclear Information System (INIS)

Guzman-Verri, G G; Lew Yan Voon, L C

2011-01-01

The band structures of fully hydrogenated Si nanosheets and nanotubes are elucidated by the use of an empirical tight-binding model. The hydrogenated Si sheet is a semiconductor with an indirect band gap of about 2.2 eV. The symmetries of the wavefunctions allow us to explain the origin of the gap. We predict that, for certain chiralities, hydrogenated Si nanotubes represent a new type of semiconductor, one with coexisting direct and indirect gaps of exactly the same magnitude. This behavior is different from that governed by the Hamada rule established for non-hydrogenated carbon and silicon nanotubes. A comparison to the results of an ab initio calculation is made.

Effects of surface condition on the work function and valence-band position of ZnSnN2

Science.gov (United States)

Shing, Amanda M.; Tolstova, Yulia; Lewis, Nathan S.; Atwater, Harry A.

2017-12-01

ZnSnN2 is an emerging wide band gap earth-abundant semiconductor with potential applications in photonic devices such as solar cells, LEDs, and optical sensors. We report the characterization by ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy of reactively radio-frequency sputtered II-IV-nitride ZnSnN2 thin films. For samples transferred in high vacuum, the ZnSnN2 surface work function was 4.0 ± 0.1 eV below the vacuum level, with a valence-band onset of 1.2 ± 0.1 eV below the Fermi level. The resulting band diagram indicates that the degenerate bulk Fermi level position in ZnSnN2 shifts to mid-gap at the surface due to band bending that results from equilibration with delocalized surface states within the gap. Brief (< 10 s) exposures to air, a nitrogen-plasma treatment, or argon-ion sputtering caused significant chemical changes at the surface, both in surface composition and interfacial energetics. The relative band positioning of the n-type semiconductor against standard redox potentials indicated that ZnSnN2 has an appropriate energy band alignment for use as a photoanode to effect the oxygen-evolution reaction.

Band structures of 4f and 5f materials studied by angle-resolved photoelectron spectroscopy.

Science.gov (United States)

Fujimori, Shin-ichi

2016-04-20

Recent remarkable progress in angle-resolved photoelectron spectroscopy (ARPES) has enabled the direct observation of the band structures of 4f and 5f materials. In particular, ARPES with various light sources such as lasers (hν ~ 7 eV) or high-energy synchrotron radiations (hν >/~ 400 eV) has shed light on the bulk band structures of strongly correlated materials with energy scales of a few millielectronvolts to several electronvolts. The purpose of this paper is to summarize the behaviors of 4f and 5f band structures of various rare-earth and actinide materials observed by modern ARPES techniques, and understand how they can be described using various theoretical frameworks. For 4f-electron materials, ARPES studies of CeMIn5(M = Rh, Ir, and Co) and YbRh2Si2 with various incident photon energies are summarized. We demonstrate that their 4f electronic structures are essentially described within the framework of the periodic Anderson model, and that the band-structure calculation based on the local density approximation cannot explain their low-energy electronic structures. Meanwhile, electronic structures of 5f materials exhibit wide varieties ranging from itinerant to localized states. For itinerant U5f compounds such as UFeGa5, their electronic structures can be well-described by the band-structure calculation assuming that all U5f electrons are itinerant. In contrast, the band structures of localized U5f compounds such as UPd3 and UO2 are essentially explained by the localized model that treats U5f electrons as localized core states. In regards to heavy fermion U-based compounds such as the hidden-order compound URu2Si2, their electronic structures exhibit complex behaviors. Their overall band structures are generally well-explained by the band-structure calculation, whereas the states in the vicinity of EF show some deviations due to electron correlation effects. Furthermore, the electronic structures of URu2Si2 in the paramagnetic and hidden-order phases are

8-band and 14-band kp modeling of electronic band structure and material gain in Ga(In)AsBi quantum wells grown on GaAs and InP substrates

Energy Technology Data Exchange (ETDEWEB)

Gladysiewicz, M.; Wartak, M. S. [Faculty of Fundamental Problems of Technology, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw (Poland); Department of Physics and Computer Science, Wilfrid Laurier University, Waterloo, Ontario N2L 3C5 (Canada); Kudrawiec, R. [Faculty of Fundamental Problems of Technology, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw (Poland)

2015-08-07

The electronic band structure and material gain have been calculated for GaAsBi/GaAs quantum wells (QWs) with various bismuth concentrations (Bi ≤ 15%) within the 8-band and 14-band kp models. The 14-band kp model was obtained by extending the standard 8-band kp Hamiltonian by the valence band anticrossing (VBAC) Hamiltonian, which is widely used to describe Bi-related changes in the electronic band structure of dilute bismides. It has been shown that in the range of low carrier concentrations n < 5 × 10{sup 18 }cm{sup −3}, material gain spectra calculated within 8- and 14-band kp Hamiltonians are similar. It means that the 8-band kp model can be used to calculate material gain in dilute bismides QWs. Therefore, it can be applied to analyze QWs containing new dilute bismides for which the VBAC parameters are unknown. Thus, the energy gap and electron effective mass for Bi-containing materials are used instead of VBAC parameters. The electronic band structure and material gain have been calculated for 8 nm wide GaInAsBi QWs on GaAs and InP substrates with various compositions. In these QWs, Bi concentration was varied from 0% to 5% and indium concentration was tuned in order to keep the same compressive strain (ε = 2%) in QW region. For GaInAsBi/GaAs QW with 5% Bi, gain peak was determined to be at about 1.5 μm. It means that it can be possible to achieve emission at telecommunication windows (i.e., 1.3 μm and 1.55 μm) for GaAs-based lasers containing GaInAsBi/GaAs QWs. For GaInAsBi/Ga{sub 0.47}In{sub 0.53}As/InP QWs with 5% Bi, gain peak is predicted to be at about 4.0 μm, i.e., at the wavelengths that are not available in current InP-based lasers.

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

International Nuclear Information System (INIS)

Norman, M.R.

2010-01-01

lattice into a d 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.

7th International Fermi Symposium

Science.gov (United States)

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

Shot noise and Fano factor in tunneling in three-band pseudospin-1 Dirac-Weyl systems

Science.gov (United States)

Zhu, Rui; Hui, Pak Ming

2017-06-01

Tunneling through a potential barrier of height V0 in a two-dimensional system with a band structure consisting of three bands with a flat band intersecting the touching apices of two Dirac cones is studied. Results of the transmission coefficient at various incident angles, conductivity, shot noise, and Fano factor in this pseudospin-1 Dirac-Weyl system are presented and contrasted with those in graphene which is typical of a pseudospin-1/2 system. The pseudospin-1 system is found to show a higher transmission and suppressed shot noise in general. Significant differences in the shot noise and Fano factor due to the super Klein tunneling effect that allows perfect transmission at all incident angles under certain conditions are illustrated. For Fermi energy EF =V0 / 2, super Klein tunneling leads to a noiseless conductivity that takes on the maximum value 2e2 DkF / (πh) for 0 ≤EF ≤V0. This gives rise to a minimum Fano factor, in sharp contrast with that of a local maximum in graphene. For EF =V0, the band structure of pseudospin-1 system no longer leads to a quantized value of the conductivity as in graphene. Both the conductivity and the shot noise show a minimum with the Fano factor approaching 1/4, which is different from the value of 1/3 in graphene.

Adventures in holographic dimer models

International Nuclear Information System (INIS)

Kachru, Shamit; Karch, Andreas; Yaida, Sho

2011-01-01

We abstract the essential features of holographic dimer models, and develop several new applications of these models. Firstly, semi-holographically coupling free band fermions to holographic dimers, we uncover novel phase transitions between conventional Fermi liquids and non-Fermi liquids, accompanied by a change in the structure of the Fermi surface. Secondly, we make dimer vibrations propagate through the whole crystal by way of double trace deformations, obtaining nontrivial band structure. In a simple toy model, the topology of the band structure experiences an interesting reorganization as we vary the strength of the double trace deformations. Finally, we develop tools that would allow one to build, in a bottom-up fashion, a holographic avatar of the Hubbard model.

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

Science.gov (United States)

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.

Effect of pressure on the structural properties and electronic band structure of GaSe

Energy Technology Data Exchange (ETDEWEB)

Schwarz, U.; Olguin, D.; Syassen, K. [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, 70569 Stuttgart (Germany); Cantarero, A. [Department of Materials Sciences, University of Valencia, 46000 Burjasot (Spain); Hanfland, M. [European Synchrotron Radiation Facility, BP 220, 38043 Grenoble (France)

2007-01-15

The structural properties of GaSe have been investigated up to 38 GPa by monochromatic X-ray diffraction. The onset of the phase transition from the {epsilon}-GaSe to a disordered NaCl-type structural motif is observed near 21 GPa. Using the experimentally determined lattice parameters of the layered {epsilon}-phase as input, constrained ab-initio total energy calculations were performed in order to optimize the internal structural parameters at different pressures. The results obtained for the nearest-neighbor Ga-Se distance agree with those derived from recent EXAFS measurements. In addition, information is obtained on the changes of Ga-Ga and Se-Se bond lengths which were not accessible to a direct experimental determination yet. Based on the optimized structural parameters, we report calculations of band gap changes of {epsilon}-GaSe under pressure. The optical response and electronic band structure of the metallic high-pressure phase of GaSe are discussed briefly. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Electronic structure investigation of MoS2 and MoSe2 using angle-resolved photoemission spectroscopy and ab initio band structure studies.

Science.gov (United States)

Mahatha, S K; Patel, K D; Menon, Krishnakumar S R

2012-11-28

Angle-resolved photoemission spectroscopy (ARPES) and ab initio band structure calculations have been used to study the detailed valence band structure of molybdenite, MoS(2) and MoSe(2). The experimental band structure obtained from ARPES has been found to be in good agreement with the theoretical calculations performed using the linear augmented plane wave (LAPW) method. In going from MoS(2) to MoSe(2), the dispersion of the valence bands decreases along both k(parallel) and k(perpendicular), revealing the increased two-dimensional character which is attributed to the increasing interlayer distance or c/a ratio in these compounds. The width of the valence band and the band gap are also found to decrease, whereas the valence band maxima shift towards the higher binding energy from MoS(2) to MoSe(2).

Temperature dependence of the vibrational spectra of acetanilide: Davydov solitons or Fermi coupling

Energy Technology Data Exchange (ETDEWEB)

Johnston, C.T.; Swanson, B.I.

1985-03-15

The unusual temperature dependence of the amide-I region in the IR spectrum of acetanilide (C/sub 6/H/sub 5/NHCOCH/sub 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 /sup 13/C-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 /sup 13/C-O substituted species the unusual temperature dependence in the 1650 cm/sup -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. 20 references, 3 figures.

Temperature dependence of the vibrational spectra of acetanilide: Davydov solitons or Fermi coupling?

Science.gov (United States)

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.

Band structure, band offsets, substitutional doping, and Schottky barriers of bulk and monolayer InSe

Science.gov (United States)

Guo, Yuzheng; Robertson, John

2017-09-01

We present a detailed study of the electronic structure of the layered semiconductor InSe. We calculate the band structure of the monolayer and bulk material using density functional theory, hybrid functionals, and G W . The band gap of the monolayer InSe is calculated to be 2.4 eV in screened exchange hybrid functional, close to the experimental photoluminescence gap. The electron affinities and band offsets are calculated for vertical stacked-layer heterostructures, and are found to be suitable for tunnel field effect transistors (TFETs) in combination with WS e2 or similar. The valence-band edge of InSe is calculated to lie 5.2 eV below the vacuum level, similar to that for the closed shell systems HfS e2 or SnS e2 . Hence InSe would be suitable to act as a p -type drain in the TFET. The intrinsic defects are calculated. For Se-rich layers, the Se adatom (interstitial) is found to be the most stable defect, whereas for In-rich layers, the Se vacancy is the most stable for the neutral state. Antisites tend to have energies just above those of vacancies. The Se antisite distorts towards a bond-breaking distortion as in the EL2 center of GaAs. Both substitutional donors and acceptors are calculated to be shallow, and effective dopants. They do not reconstruct to form nondoping configurations as occurs in black phosphorus. Finally, the Schottky barriers of metals on InSe are found to be strongly pinned by metal induced gap states (MIGS) at ˜0.5 eV above the valence-band edge. Any interfacial defects would lead to a stronger pinning at a similar energy. Overall, InSe is an effective semiconductor combining the good features of 2D (lack of dangling bonds, etc.) with the good features of 3D (effective doping), which few others achieve.

de Haas-van Alphen effect investigations of the electronic structure of pure and aluminum-doped MgB2

International Nuclear Information System (INIS)

Carrington, A.; Yelland, E.A.; Fletcher, J.D.; Cooper, J.R.

2007-01-01

Our understanding of the superconducting properties of MgB 2 is strongly linked to our knowledge of its electronic structure. In this paper we review experimental measurements of the Fermi surface parameters of pure and Al-doped MgB 2 using the de Haas-van Alphen (dHvA) effect. In general, the measurements are in excellent agreement with the theoretical predictions of the electronic structure, including the strength of the electron-phonon coupling on each Fermi surface sheet. For the Al doped samples, we are able to measure how the band structure changes with doping. These results are in excellent agreement with calculations based on the virtual crystal approximation. We also review work on the dHvA effect in the superconducting state

Relativistic finite-temperature Thomas-Fermi model

Science.gov (United States)

Faussurier, Gérald

2017-11-01

We investigate the relativistic finite-temperature Thomas-Fermi model, which has been proposed recently in an astrophysical context. Assuming a constant distribution of protons inside the nucleus of finite size avoids severe divergence of the electron density with respect to a point-like nucleus. A formula for the nuclear radius is chosen to treat any element. The relativistic finite-temperature Thomas-Fermi model matches the two asymptotic regimes, i.e., the non-relativistic and the ultra-relativistic finite-temperature Thomas-Fermi models. The equation of state is considered in detail. For each version of the finite-temperature Thomas-Fermi model, the pressure, the kinetic energy, and the entropy are calculated. The internal energy and free energy are also considered. The thermodynamic consistency of the three models is considered by working from the free energy. The virial question is also studied in the three cases as well as the relationship with the density functional theory. The relativistic finite-temperature Thomas-Fermi model is far more involved than the non-relativistic and ultra-relativistic finite-temperature Thomas-Fermi models that are very close to each other from a mathematical point of view.

Robust band gap and half-metallicity in graphene with triangular perforations

Science.gov (United States)

Gregersen, Søren Schou; Power, Stephen R.; Jauho, Antti-Pekka

2016-06-01

Ideal graphene antidot lattices are predicted to show promising band gap behavior (i.e., EG≃500 meV) under carefully specified conditions. However, for the structures studied so far this behavior is critically dependent on superlattice geometry and is not robust against experimentally realistic disorders. Here we study a rectangular array of triangular antidots with zigzag edge geometries and show that their band gap behavior qualitatively differs from the standard behavior which is exhibited, e.g., by rectangular arrays of armchair-edged triangles. In the spin unpolarized case, zigzag-edged antidots give rise to large band gaps compared to armchair-edged antidots, irrespective of the rules which govern the existence of gaps in armchair-edged antidot lattices. In addition the zigzag-edged antidots appear more robust than armchair-edged antidots in the presence of geometrical disorder. The inclusion of spin polarization within a mean-field Hubbard approach gives rise to a large overall magnetic moment at each antidot due to the sublattice imbalance imposed by the triangular geometry. Half-metallic behavior arises from the formation of spin-split dispersive states near the Fermi energy, reducing the band gaps compared to the unpolarized case. This behavior is also found to be robust in the presence of disorder. Our results highlight the possibilities of using triangular perforations in graphene to open electronic band gaps in systems with experimentally realistic levels of disorder, and furthermore, of exploiting the strong spin dependence of the system for spintronic applications.

THE SECOND FERMI LARGE AREA TELESCOPE CATALOG OF GAMMA-RAY PULSARS

Energy Technology Data Exchange (ETDEWEB)

Abdo, A. A. [Center for Earth Observing and Space Research, College of Science, George Mason University, Fairfax, VA 22030 (United States); Ajello, M. [Space Sciences Laboratory, 7 Gauss Way, University of California, Berkeley, CA 94720-7450 (United States); Allafort, A.; Bloom, E. D.; Bottacini, E. [W. W. Hansen Experimental Physics Laboratory, Kavli Institute for Particle Astrophysics and Cosmology, Department of Physics and SLAC National Accelerator Laboratory, Stanford University, Stanford, CA 94305 (United States); Baldini, L. [Università di Pisa and Istituto Nazionale di Fisica Nucleare, Sezione di Pisa, I-56127 Pisa (Italy); Ballet, J. [Laboratoire AIM, CEA-IRFU/CNRS/Université Paris Diderot, Service d' Astrophysique, CEA Saclay, F-91191 Gif sur Yvette (France); Barbiellini, G. [Istituto Nazionale di Fisica Nucleare, Sezione di Trieste, I-34127 Trieste (Italy); Baring, M. G. [Rice University, Department of Physics and Astronomy, MS-108, P.O. Box 1892, Houston, TX 77251 (United States); Bastieri, D. [Istituto Nazionale di Fisica Nucleare, Sezione di Padova, I-35131 Padova (Italy); Belfiore, A. [Santa Cruz Institute for Particle Physics, Department of Physics and Department of Astronomy and Astrophysics, University of California at Santa Cruz, Santa Cruz, CA 95064 (United States); Bellazzini, R.; Bregeon, J. [Istituto Nazionale di Fisica Nucleare, Sezione di Pisa, I-56127 Pisa (Italy); Bhattacharyya, B. [National Centre for Radio Astrophysics, Tata Institute of Fundamental Research, Pune 411 007 (India); Bissaldi, E. [Istituto Nazionale di Fisica Nucleare, Sezione di Trieste, and Università di Trieste, I-34127 Trieste (Italy); Bonamente, E. [Istituto Nazionale di Fisica Nucleare, Sezione di Perugia, I-06123 Perugia (Italy); Brandt, T. J. [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Brigida, M., E-mail: hartog@stanford.edu [Dipartimento di Fisica ' ' M. Merlin' ' dell' Università e del Politecnico di Bari, I-70126 Bari (Italy); and others

2013-10-01

This catalog summarizes 117 high-confidence ≥0.1 GeV gamma-ray pulsar detections using three years of data acquired by the Large Area Telescope (LAT) on the Fermi satellite. Half are neutron stars discovered using LAT data through periodicity searches in gamma-ray and radio data around LAT unassociated source positions. The 117 pulsars are evenly divided into three groups: millisecond pulsars, young radio-loud pulsars, and young radio-quiet pulsars. We characterize the pulse profiles and energy spectra and derive luminosities when distance information exists. Spectral analysis of the off-peak phase intervals indicates probable pulsar wind nebula emission for four pulsars, and off-peak magnetospheric emission for several young and millisecond pulsars. We compare the gamma-ray properties with those in the radio, optical, and X-ray bands. We provide flux limits for pulsars with no observed gamma-ray emission, highlighting a small number of gamma-faint, radio-loud pulsars. The large, varied gamma-ray pulsar sample constrains emission models. Fermi's selection biases complement those of radio surveys, enhancing comparisons with predicted population distributions.

The second FERMI large area telescope catalog of gamma-ray pulsars

Energy Technology Data Exchange (ETDEWEB)

Abdo, A. A.; Ajello, M.; Allafort, A.; Baldini, L.; Ballet, J.; Barbiellini, G.; Baring, M. G.; Bastieri, D.; Belfiore, A.; Bellazzini, R.; Bhattacharyya, B.; Bissaldi, E.; Bloom, E. D.; Bonamente, E.; Bottacini, E.; Brandt, T. J.; Bregeon, J.; Brigida, M.; Bruel, P.; Buehler, R.; Burgay, M.; Burnett, T. H.; Busetto, G.; Buson, S.; Caliandro, G. A.; Cameron, R. A.; Camilo, F.; Caraveo, P. A.; Casandjian, J. M.; Cecchi, C.; Çelik, Ö.; Charles, E.; Chaty, S.; Chaves, R. C. G.; Chekhtman, A.; Chen, A. W.; Chiang, J.; Chiaro, G.; Ciprini, S.; Claus, R.; Cognard, I.; Cohen-Tanugi, J.; Cominsky, L. R.; Conrad, J.; Cutini, S.; D' Ammando, F.; de Angelis, A.; DeCesar, M. E.; De Luca, A.; den Hartog, P. R.; de Palma, F.; Dermer, C. D.; Desvignes, G.; Digel, S. W.; Di Venere, L.; Drell, P. S.; Drlica-Wagner, A.; Dubois, R.; Dumora, D.; Espinoza, C. M.; Falletti, L.; Favuzzi, C.; Ferrara, E. C.; Focke, W. B.; Franckowiak, A.; Freire, P. C. C.; Funk, S.; Fusco, P.; Gargano, F.; Gasparrini, D.; Germani, S.; Giglietto, N.; Giommi, P.; Giordano, F.; Giroletti, M.; Glanzman, T.; Godfrey, G.; Gotthelf, E. V.; Grenier, I. A.; Grondin, M. -H.; Grove, J. E.; Guillemot, L.; Guiriec, S.; Hadasch, D.; Hanabata, Y.; Harding, A. K.; Hayashida, M.; Hays, E.; Hessels, J.; Hewitt, J.; Hill, A. B.; Horan, D.; Hou, X.; Hughes, R. E.; Jackson, M. S.; Janssen, G. H.; Jogler, T.; Jóhannesson, G.; Johnson, R. P.; Johnson, A. S.; Johnson, T. J.; Johnson, W. N.; Johnston, S.; Kamae, T.; Kataoka, J.; Keith, M.; Kerr, M.; Knödlseder, J.; Kramer, M.; Kuss, M.; Lande, J.; Larsson, S.; Latronico, L.; Lemoine-Goumard, M.; Longo, F.; Loparco, F.; Lovellette, M. N.; Lubrano, P.; Lyne, A. G.; Manchester, R. N.; Marelli, M.; Massaro, F.; Mayer, M.; Mazziotta, M. N.; McEnery, J. E.; McLaughlin, M. A.; Mehault, J.; Michelson, P. F.; Mignani, R. P.; Mitthumsiri, W.; Mizuno, T.; Moiseev, A. A.; Monzani, M. E.; Morselli, A.; Moskalenko, I. V.; Murgia, S.; Nakamori, T.; Nemmen, R.; Nuss, E.; Ohno, M.; Ohsugi, T.; Orienti, M.; Orlando, E.; Ormes, J. F.; Paneque, D.; Panetta, J. H.; Parent, D.; Perkins, J. S.; Pesce-Rollins, M.; Pierbattista, M.; Piron, F.; Pivato, G.; Pletsch, H. J.; Porter, T. A.; Possenti, A.; Rainò, S.; Rando, R.; Ransom, S. M.; Ray, P. S.; Razzano, M.; Rea, N.; Reimer, A.; Reimer, O.; Renault, N.; Reposeur, T.; Ritz, S.; Romani, R. W.; Roth, M.; Rousseau, R.; Roy, J.; Ruan, J.; Sartori, A.; Saz Parkinson, P. M.; Scargle, J. D.; Schulz, A.; Sgrò, C.; Shannon, R.; Siskind, E. J.; Smith, D. A.; Spandre, G.; Spinelli, P.; Stappers, B. W.; Strong, A. W.; Suson, D. J.; Takahashi, H.; Thayer, J. G.; Thayer, J. B.; Theureau, G.; Thompson, D. J.; Thorsett, S. E.; Tibaldo, L.; Tibolla, O.; Tinivella, M.; Torres, D. F.; Tosti, G.; Troja, E.; Uchiyama, Y.; Usher, T. L.; Vandenbroucke, J.; Vasileiou, V.; Venter, C.; Vianello, G.; Vitale, V.; Wang, N.; Weltevrede, P.; Winer, B. L.; Wolff, M. T.; Wood, D. L.; Wood, K. S.; Wood, M.; Yang, Z.

2013-09-19

This catalog summarizes 117 high-confidence ≥0.1 GeV gamma-ray pulsar detections using three years of data acquired by the Large Area Telescope (LAT) on the Fermi satellite. Half are neutron stars discovered using LAT data through periodicity searches in gamma-ray and radio data around LAT unassociated source positions. The 117 pulsars are evenly divided into three groups: millisecond pulsars, young radio-loud pulsars, and young radio-quiet pulsars. We characterize the pulse profiles and energy spectra and derive luminosities when distance information exists. Spectral analysis of the off-peak phase intervals indicates probable pulsar wind nebula emission for four pulsars, and off-peak magnetospheric emission for several young and millisecond pulsars. We compare the gamma-ray properties with those in the radio, optical, and X-ray bands. We provide flux limits for pulsars with no observed gamma-ray emission, highlighting a small number of gamma-faint, radio-loud pulsars. The large, varied gamma-ray pulsar sample constrains emission models. Fermi's selection biases complement those of radio surveys, enhancing comparisons with predicted population distributions.

The second fermi large area telescope catalog of gamma-ray pulsars

Energy Technology Data Exchange (ETDEWEB)

Abdo, A. A.; Ajello, M.; Allafort, A.; Baldini, L.; Ballet, J.; Barbiellini, G.; Baring, M. G.; Bastieri, D.; Belfiore, A.; Bellazzini, R.; Bhattacharyya, B.; Bissaldi, E.; Bloom, E. D.; Bonamente, E.; Bottacini, E.; Brandt, T. J.; Bregeon, J.; Brigida, M.; Bruel, P.; Buehler, R.; Burgay, M.; Burnett, T. H.; Busetto, G.; Buson, S.; Caliandro, G. A.; Cameron, R. A.; Camilo, F.; Caraveo, P. A.; Casandjian, J. M.; Cecchi, C.; Çelik, Ö.; Charles, E.; Chaty, S.; Chaves, R. C. G.; Chekhtman, A.; Chen, A. W.; Chiang, J.; Chiaro, G.; Ciprini, S.; Claus, R.; Cognard, I.; Cohen-Tanugi, J.; Cominsky, L. R.; Conrad, J.; Cutini, S.; D' Ammando, F.; de Angelis, A.; DeCesar, M. E.; De Luca, A.; den Hartog, P. R.; de Palma, F.; Dermer, C. D.; Desvignes, G.; Digel, S. W.; Di Venere, L.; Drell, P. S.; Drlica-Wagner, A.; Dubois, R.; Dumora, D.; Espinoza, C. M.; Falletti, L.; Favuzzi, C.; Ferrara, E. C.; Focke, W. B.; Franckowiak, A.; Freire, P. C. C.; Funk, S.; Fusco, P.; Gargano, F.; Gasparrini, D.; Germani, S.; Giglietto, N.; Giommi, P.; Giordano, F.; Giroletti, M.; Glanzman, T.; Godfrey, G.; Gotthelf, E. V.; Grenier, I. A.; Grondin, M. -H.; Grove, J. E.; Guillemot, L.; Guiriec, S.; Hadasch, D.; Hanabata, Y.; Harding, A. K.; Hayashida, M.; Hays, E.; Hessels, J.; Hewitt, J.; Hill, A. B.; Horan, D.; Hou, X.; Hughes, R. E.; Jackson, M. S.; Janssen, G. H.; Jogler, T.; Jóhannesson, G.; Johnson, R. P.; Johnson, A. S.; Johnson, T. J.; Johnson, W. N.; Johnston, S.; Kamae, T.; Kataoka, J.; Keith, M.; Kerr, M.; Knödlseder, J.; Kramer, M.; Kuss, M.; Lande, J.; Larsson, S.; Latronico, L.; Lemoine-Goumard, M.; Longo, F.; Loparco, F.; Lovellette, M. N.; Lubrano, P.; Lyne, A. G.; Manchester, R. N.; Marelli, M.; Massaro, F.; Mayer, M.; Mazziotta, M. N.; McEnery, J. E.; McLaughlin, M. A.; Mehault, J.; Michelson, P. F.; Mignani, R. P.; Mitthumsiri, W.; Mizuno, T.; Moiseev, A. A.; Monzani, M. E.; Morselli, A.; Moskalenko, I. V.; Murgia, S.; Nakamori, T.; Nemmen, R.; Nuss, E.; Ohno, M.; Ohsugi, T.; Orienti, M.; Orlando, E.; Ormes, J. F.; Paneque, D.; Panetta, J. H.; Parent, D.; Perkins, J. S.; Pesce-Rollins, M.; Pierbattista, M.; Piron, F.; Pivato, G.; Pletsch, H. J.; Porter, T. A.; Possenti, A.; Rainò, S.; Rando, R.; Ransom, S. M.; Ray, P. S.; Razzano, M.; Rea, N.; Reimer, A.; Reimer, O.; Renault, N.; Reposeur, T.; Ritz, S.; Romani, R. W.; Roth, M.; Rousseau, R.; Roy, J.; Ruan, J.; Sartori, A.; Saz Parkinson, P. M.; Scargle, J. D.; Schulz, A.; Sgrò, C.; Shannon, R.; Siskind, E. J.; Smith, D. A.; Spandre, G.; Spinelli, P.; Stappers, B. W.; Strong, A. W.; Suson, D. J.; Takahashi, H.; Thayer, J. G.; Thayer, J. B.; Theureau, G.; Thompson, D. J.; Thorsett, S. E.; Tibaldo, L.; Tibolla, O.; Tinivella, M.; Torres, D. F.; Tosti, G.; Troja, E.; Uchiyama, Y.; Usher, T. L.; Vandenbroucke, J.; Vasileiou, V.; Venter, C.; Vianello, G.; Vitale, V.; Wang, N.; Weltevrede, P.; Winer, B. L.; Wolff, M. T.; Wood, D. L.; Wood, K. S.; Wood, M.; Yang, Z.

2013-09-19

This catalog summarizes 117 high-confidence ≥0.1 GeV gamma-ray pulsar detections using three years of data acquired by the Large Area Telescope (LAT) on the Fermi satellite. Half are neutron stars discovered using LAT data through periodicity searches in gamma-ray and radio data around LAT unassociated source positions. The 117 pulsars are evenly divided into three groups: millisecond pulsars, young radio-loud pulsars, and young radio-quiet pulsars. We characterize the pulse profiles and energy spectra and derive luminosities when distance information exists. Spectral analysis of the off-peak phase intervals indicates probable pulsar wind nebula emission for four pulsars, and off-peak magnetospheric emission for several young and millisecond pulsars. We compare the gamma-ray properties with those in the radio, optical, and X-ray bands. We provide flux limits for pulsars with no observed gamma-ray emission, highlighting a small number of gamma-faint, radio-loud pulsars. The large, varied gamma-ray pulsar sample constrains emission models. Fermi's selection biases complement those of radio surveys, enhancing comparisons with predicted population distributions.

Energy band structure of Cr by the Slater-Koster interpolation scheme

International Nuclear Information System (INIS)

Seifu, D.; Mikusik, P.

1986-04-01

The matrix elements of the Hamiltonian between nine localized wave-functions in tight-binding formalism are derived. The symmetry adapted wave-functions and the secular equations are formed by the group theory method for high symmetry points in the Brillouin zone. A set of interaction integrals is chosen on physical ground and fitted via the Slater-Koster interpolation scheme to the abinito band structure of chromium calculated by the Green function method. Then the energy band structure of chromium is interpolated and extrapolated in the Brillouin zone. (author)

Electronic structure of the misfit layer compound (SnS)(1.20)TiS2 : Band structure calculations and photoelectron spectra

NARCIS (Netherlands)

Fang, CM; deGroot, RA; Wiegers, GA; Haas, C

1996-01-01

In order to understand the electronic structure of the incommensurate misfit layer compound (SnS)(1.20)TiS2 we carried out an ab initio band structure calculation in the supercell approximation. The band structure is compared with that of the components 1T-TiS2 and hypothetical SnS with a similar

Electronic structure of the misfit layer compound (SnS)1.20TiS2 : band structure calculations and photoelectron spectra

NARCIS (Netherlands)

Fang, C.M.; Groot, R.A. de; Wiegers, G.A.; Haas, C.

1996-01-01

In order to understand the electronic structure of the incommensurate misfit layer compound (SnS)1.20TiS2 we carried out an ab initio band structure calculation in the supercell approximation. The band structure is compared with that of the components 1T-TiS2 and hypothetical SnS with a similar

Using GRB 080723B to cross-calibrate Fermi/GBM and INTEGRAL

International Nuclear Information System (INIS)

Kienlin, A. von; Briggs, M. S.; Connoughton, V.; Preece, R. D.; McBreen, S.; Sazonov, Sergey; Tsygankov, Sergey; Wilson-Hodge, C. A.

2009-01-01

On July 23, 2008 GRB 080723B, a bright GRB lasting about 105 s was detected by the INTEGRAL burst alert system. This burst was also detected by the Fermi Gamma-ray burst monitor. At this time no Fermi/GBM GCN notices were distributed to the public because Fermi was still in commissioning phase. The simultaneous detection of a bright GRB by both satellites gives us the opportunity to cross-calibrate the GBM with the already well-calibrated instruments on-board INTEGRAL, the Spectrometer SPI and the Imager IBIS. Time-resolved spectroscopy of this long and structured GRB is of special importance because Fermi was slewing during the GRB was still ongoing. In this paper we present a first and still preliminary analysis of the GBM spectra and compare them to those obtained by SPI for the same selection of time intervals. A more accurate cross-calibration will be forthcoming when the improved in-flight calibration of GBM is available and the corresponding data and responses can be reprocessed.

Cherenkov oscillator operating at the second band gap of leakage waveguide structures

Directory of Open Access Journals (Sweden)

Kyu-Ha Jang

2016-10-01

Full Text Available An electromagnetic wave source operating around second band gaps of metallic grating structures is presented. The considered metallic grating structures are not perfect periodic but inhomogeneously structured within a period to have a second band gap where the wavelength is equal to the period of the structures. The radiation mechanism by an electron beam in the structures is different from the well-known Smith-Purcell radiation occurring in perfect periodic grating structures. That is, the radiating wave has a single frequency and the radiation is unidirectional. When the energy of the electron beam is synchronized at the standing wave point in the dispersion curves, strong interaction happens and coherent radiation perpendicular to the grating surface is generated with relatively lower starting oscillation current.

The band gap variation of a two dimensional binary locally resonant structure in thermal environment

Directory of Open Access Journals (Sweden)

Zhen Li

2017-01-01

Full Text Available In this study, the numerical investigation of thermal effect on band gap dynamical characteristic for a two-dimensional binary structure composed of aluminum plate periodically filled with nitrile rubber cylinder is presented. Initially, the band gap of the binary structure variation trend with increasing temperature is studied by taking the softening effect of thermal stress into account. A breakthrough is made which found the band gap being narrower and shifting to lower frequency in thermal environment. The complete band gap which in higher frequency is more sensitive to temperature that it disappears with temperature increasing. Then some new transformed models are created by changing the height of nitrile rubber cylinder from 1mm to 7mm. Simulations show that transformed model can produce a wider band gap (either flexure or complete band gap. A proper forbidden gap of elastic wave can be utilized in thermal environment although both flexure and complete band gaps become narrower with temperature. Besides that, there is a zero-frequency flat band appearing in the first flexure band, and it becomes broader with temperature increasing. The band gap width decreases trend in thermal environment, as well as the wider band gap induced by the transformed model with higher nitrile rubber cylinder is useful for the design and application of phononic crystal structures in thermal environment.

Covalent bonding and band-gap formation in ternary transition-metal di-aluminides: Al4MnCo and related compounds

International Nuclear Information System (INIS)

Krajci, M.; Hafner, J.

2002-01-01

In this paper we extend our previous study of the electronic structure of and bonding mechanism in transition-metal (TM) di-aluminides to ternary systems. We have studied the character of the bonding in Al 4 MnCo and related TM di-aluminides in the C11 b (MoSi 2 ) and C54 (TiSi 2 ) crystal structures. A peculiar feature of the electronic structure of these TM di-aluminides is the existence of a semiconducting gap at the Fermi level. In our previous work we predicted a gap in Al 2 TM compounds where the TM atoms have eight valence electrons. Here we demonstrate that the semiconducting gap does not disappear if the TM sites are occupied by two different TMs, provided that the electron-per-atom ratio is conserved. Such a replacement substantially increases the class of possibly semiconducting TM di-aluminides. Substitution for 3d TMs of 4d or 5d TMs enhances the width of the gap. From the analysis of the charge density distribution and the crystal orbital overlap population, we conclude that the bonding between atoms has dominantly covalent character. This is confirmed not only by the enhanced charge density halfway between atoms, but also by the clear bonding-antibonding splitting of the electronic states. If the gaps between split states that correspond to all bonding configurations in the crystal have a common overlap at the Fermi level, the intermetallic compound becomes a semiconductor. However, the results of the total-energy calculations suggest that the existence of a band gap does not necessarily imply a stable structure. Strong covalent bonds can exist also in Al-TM structures where no band gap is observed. (author)

Comparison and fit of the two and six band k.p models for the band edge structure of Pbsub(1-x)Snsub(x)Te

International Nuclear Information System (INIS)

Weissman, Y.

1975-10-01

The band edge structure of Pbsub(1-x)Snsub(x)Te is derived in detail using a two band ellipsoidal model and compared with a more rigorous calculation based on six bands. A quantitative comparison is made for two values of the energy gap, corresponding to the cases where x=0 and x=0.17. It was found that, for the occupied states in nondegenerate materials, both models are practically equivalent. Discrepancies may occur only in high degeneracies or deep inversion layers. The agreement between both models was significantly improved by introducing an effective energy gap in the two band model. It is suggested that the use of the effective energy gap may improve the agreement between the two band model and experiment whenever the details of the band edge structure enter the interpretation of the experimental results. (author)

Angular dependent XPS study of surface band bending on Ga-polar n-GaN

Science.gov (United States)

Huang, Rong; Liu, Tong; Zhao, Yanfei; Zhu, Yafeng; Huang, Zengli; Li, Fangsen; Liu, Jianping; Zhang, Liqun; Zhang, Shuming; Dingsun, An; Yang, Hui

2018-05-01

Surface band bending and composition of Ga-polar n-GaN with different surface treatments were characterized by using angular dependent X-ray photoelectron spectroscopy. Upward surface band bending of varying degree was observed distinctly upon to the treatment methods. Besides the nitrogen vacancies, we found that surface states of oxygen-containing absorbates (O-H component) also contribute to the surface band bending, which lead the Fermi level pined at a level further closer to the conduction band edge on n-GaN surface. The n-GaN surface with lower surface band bending exhibits better linear electrical properties for Ti/GaN Ohmic contacts. Moreover, the density of positively charged surface states could be derived from the values of surface band bending.

Expansions of Fermi and symmetrized Fermi integrals and applications in nuclear physics

International Nuclear Information System (INIS)

Grypeos, M.; Koutroulos, C.; Luk'yanov, V.; Shebeko, A.

1998-01-01

A detailed study is undertaken, using various techniques, in deriving expansions of integrals containing the Fermi or the symmetrized Fermi distributions. The results are presented in a mathematically compact form and consist of generalizations and extensions of previously known expansions. The relevance of the results to quantities of interest in nuclear physics is recalled and particular attention is paid to the so-called exponentially small terms which may play an essential role in certain cases

ELECTRONIC-STRUCTURE OF THE MISFIT-LAYER COMPOUND (SNS)(1.17)NBS2 DEDUCED FROM BAND-STRUCTURE CALCULATIONS AND PHOTOELECTRON-SPECTRA

NARCIS (Netherlands)

FANG, CM; ETTEMA, ARHF; HAAS, C; WIEGERS, GA; VANLEUKEN, H; DEGROOT, RA

1995-01-01

In order to understand the electronic structure of the misfit-layer compound (SnS)(1.17)NbS2 we carried out an ab initio band-structure calculation of the closely related commensurate compound (SnS)(1.20)NbS2. The band structure is compared with calculations for NbS2 and for hypothetical SnS with

Electronic shell structure and chemisorption on gold nanoparticles

DEFF Research Database (Denmark)

Larsen, Ask Hjorth; Kleis, Jesper; Thygesen, Kristian Sommer

2011-01-01

to distort considerably, creating large band gaps at the Fermi level. For up to 200 atoms we consider structures generated with a simple EMT potential and clusters based on cuboctahedra and icosahedra. All types of cluster geometry exhibit jelliumlike electronic shell structure. We calculate adsorption...... energies of several atoms on the cuboctahedral clusters. Adsorption energies are found to vary abruptly at magic numbers. Using a Newns-Anderson model we find that the effect of magic numbers on adsorption energy can be understood from the location of adsorbate-induced states with respect to the cluster...

Results from the CLIC X-Band Structure Test Program at NLCTA

International Nuclear Information System (INIS)

Adolphsen, C.

2009-01-01

As part of a SLAC-CERN-KEK collaboration on high gradient X-band structure research, several prototype structures for the CLIC linear collider study have been tested using two of the high power (300 MW) X-band rf stations in the NLCTA facility at SLAC. These structures differ in terms of their fabrication (brazed disks and clamped quadrants), gradient profile (amount by which the gradient increases along the structure, which optimizes efficiency and maximizes sustainable gradient) and HOM damping (use of slots or waveguides to rapidly dissipate dipole mode energy). The CLIC goal in the next few years is to demonstrate the feasibility of a CLIC-ready baseline design and to investigate alternatives that could increase efficiency. This paper summarizes the high gradient test results from NLCTA in support of this effort.

Recent Developments in Non-Fermi Liquid Theory

Science.gov (United States)

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.

Electronic structure of heavy fermion system CePt2In7 from angle-resolved photoemission spectroscopy

International Nuclear Information System (INIS)

Shen Bing; Yu Li; Lyu Shou-Peng; Jia Xiao-Wen; Zhang Yan; Wang Chen-Lu; Hu Cheng; Ding Ying; Sun Xuan; Hu Yong; Liu Jing; Gao Qiang; Zhao Lin; Liu Guo-Dong; Liu Kai; Lu Zhong-Yi; Bauer, E D; Thompson, J D; Xu Zu-Yan; Chen Chuang-Tian

2017-01-01

We have carried out high-resolution angle-resolved photoemission measurements on the Ce-based heavy fermion compound CePt 2 In 7 that exhibits stronger two-dimensional character than the prototypical heavy fermion system CeCoIn 5 . Multiple Fermi surface sheets and a complex band structure are clearly resolved. We have also performed detailed band structure calculations on CePt 2 In 7 . The good agreement found between our measurements and the calculations suggests that the band renormalization effect is rather weak in CePt 2 In 7 . A comparison of the common features of the electronic structure of CePt 2 In 7 and CeCoIn 5 indicates that CeCoIn 5 shows a much stronger band renormalization effect than CePt 2 In 7 . These results provide new information for understanding the heavy fermion behaviors and unconventional superconductivity in Ce-based heavy fermion systems. (paper)

Doping-dependent quasiparticle band structure in cuprate superconductors

NARCIS (Netherlands)

Eder, R; Ohta, Y.; Sawatzky, G.A

1997-01-01

We present an exact diagonalization study of the single-particle spectral function in the so-called t-t'-t ''-J model in two dimensions. As a key result, we find that hole doping leads to a major reconstruction of the quasiparticle band structure near (pi,0): whereas for the undoped system the

Evidence of ion intercalation mediated band structure modification and opto-ionic coupling in lithium niobite

Science.gov (United States)

Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan

2015-01-01

The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO2), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO2 has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance.

Evidence of ion intercalation mediated band structure modification and opto-ionic coupling in lithium niobite

International Nuclear Information System (INIS)

Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan

2015-01-01

The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO 2 ), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO 2 has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance

Extremely large magnetoresistance and electronic structure of TmSb

Science.gov (United States)

Wang, Yi-Yan; Zhang, Hongyun; Lu, Xiao-Qin; Sun, Lin-Lin; Xu, Sheng; Lu, Zhong-Yi; Liu, Kai; Zhou, Shuyun; Xia, Tian-Long

2018-02-01

We report the magnetotransport properties and the electronic structure of TmSb. TmSb exhibits extremely large transverse magnetoresistance and Shubnikov-de Haas (SdH) oscillation at low temperature and high magnetic field. Interestingly, the split of Fermi surfaces induced by the nonsymmetric spin-orbit interaction has been observed from SdH oscillation. The analysis of the angle-dependent SdH oscillation illustrates the contribution of each Fermi surface to the conductivity. The electronic structure revealed by angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations demonstrates a gap at the X point and the absence of band inversion. Combined with the trivial Berry phase extracted from SdH oscillation and the nearly equal concentrations of electron and hole from Hall measurements, it is suggested that TmSb is a topologically trivial semimetal and the observed XMR originates from the electron-hole compensation and high mobility.

The use of Wannier function in the calculations of band structure of covalent crystals

International Nuclear Information System (INIS)

Lu Dong; Yang Guang

1985-10-01

A variational procedure has been used to build up Wannier functions to study the energy bands of diamond, silicon and α-tin. For the case of silicon the Wannier function, density of charge and band structure are calculated self-consistently and a simple method in a non-self-consistent way has been used to compute the band structure of diamond, silicon and α-tin. The method seems to be effective to describe the electronic properties of covalent crystals. (author)

Occupied and unoccupied electronic structure of Na doped MoS{sub 2}(0001)

Energy Technology Data Exchange (ETDEWEB)

Komesu, Takashi; Zhang, Xin; Dowben, P. A. [Department of Physics and Astronomy, Theodore Jorgensen Hall, 855 N 16th St., University of Nebraska, Lincoln, Nebraska 68588-0299 (United States); Le, Duy; Rahman, Talat S. [Department of Physics, University of Central Florida, 4000 Central Florida Blvd., Orlando, Florida 32816 (United States); Ma, Quan; Bartels, Ludwig [Department of Chemistry and the Materials Science and Engineering Program, University of California - Riverside, Riverside, California 92521 (United States); Schwier, Eike F.; Iwasawa, Hideaki; Shimada, Kenya [Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima 739-0046 (Japan); Kojima, Yohei; Zheng, Mingtian [Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Taniguchi, Masaki [Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima 739-0046 (Japan); Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)

2014-12-15

The influence of sodium on the band structure of MoS{sub 2}(0001) and the comparison of the experimental band dispersion with density functional theory show excellent agreement for the occupied states (angle-resolved photoemission) and qualitative agreement for the unoccupied states (inverse photoemission spectroscopy). Na-adsorption leads to charge transfer to the MoS{sub 2} surface causing an effect similar to n-type doping of a semiconductor. The MoS{sub 2} occupied valence band structure shifts rigidly to greater binding with little change in the occupied state dispersion. Likewise, the unoccupied states shift downward, approaching the Fermi level, yet the amount of the shift for the unoccupied states is greater than that of the occupied states, effectively causing a narrowing of the MoS{sub 2} bandgap.

Measurement of valence band structure in arbitrary dielectric films

International Nuclear Information System (INIS)

Uhm, Han S.; Choi, Eun H.

2012-01-01

A new way of measuring the band structure of various dielectric materials using the secondary electron emission from Auger neutralization of ions is introduced. The first example of this measurement scheme is the magnesium oxide (MgO) films with respect to the application of the films in the display industries. The density of state in the valence bands of MgO film and MgO film with a functional layer (FL) deposited over a dielectric surface reveals that the density peak of film with a FL is considerably less than that of film, thereby indicating a better performance of MgO film with functional layer in display devices. The second example of the measurement is the boron-zinc oxide (BZO) films with respect to the application of the films to the development of solar cells. The measurement of density of state in BZO film suggests that a high concentration of boron impurity in BZO films may enhance the transition of electrons and holes through the band gap from the valence to the conduction band in zinc oxide crystals; thereby improving the conductivity of the film. Secondary electron emission by the Auger neutralization of ions is highly instrumental for the determination of the density of states in the valence band of dielectric materials.

Pulsar Timing with the Fermi LAT

Science.gov (United States)

2010-12-01

Pulsar Timing with the Fermi LAT Paul S. Ray∗, Matthew Kerr†, Damien Parent∗∗ and the Fermi PSC‡ ∗Naval Research Laboratory, 4555 Overlook Ave., SW...Laboratory, Washington, DC 20375, USA ‡Fermi Pulsar Search Consortium Abstract. We present an overview of precise pulsar timing using data from the Large...unbinned photon data. In addition to determining the spindown behavior of the pulsars and detecting glitches and timing noise, such timing analyses al

Enrico Fermi the obedient genius

CERN Document Server

Bruzzaniti, Giuseppe

2016-01-01

This biography explores the life and career of the Italian physicist Enrico Fermi, which is also the story of thirty years that transformed physics and forever changed our understanding of matter and the universe: nuclear physics and elementary particle physics were born, nuclear fission was discovered, the Manhattan Project was developed, the atomic bombs were dropped, and the era of “big science” began. It would be impossible to capture the full essence of this revolutionary period without first understanding Fermi, without whom it would not have been possible. Enrico Fermi: The Obedient Genius attempts to shed light on all aspects of Fermi’s life - his work, motivation, influences, achievements, and personal thoughts - beginning with the publication of his first paper in 1921 through his death in 1954. During this time, Fermi demonstrated that he was indeed following in the footsteps of Galileo, excelling in his work both theoretically and experimentally by deepening our understanding of the Pauli e...

QUANTITATIVE ANALYSIS OF BANDED STRUCTURES IN DUAL-PHASE STEELS

Directory of Open Access Journals (Sweden)

Benoit Krebs

2011-05-01

Full Text Available Dual-Phase (DP steels are composed of martensite islands dispersed in a ductile ferrite matrix, which provides a good balance between strength and ductility. Current processing conditions (continuous casting followed by hot and cold rolling generate 'banded structures' i.e., irregular, parallel and alternating bands of ferrite and martensite, which are detrimental to mechanical properties and especially for in-use properties. We present an original and simple method to quantify the intensity and wavelength of these bands. This method, based on the analysis of covariance function of binary images, is firstly tested on model images. It is compared with ASTM E-1268 standard and appears to be more robust. Then it is applied on real DP steel microstructures and proves to be sufficiently sensitive to discriminate samples resulting from different thermo-mechanical routes.

The acute spectral structure of single-domain YBa2Cu3O6.9

International Nuclear Information System (INIS)

Tobin, J.G.; Solal, F.R.; Fluss, J.M.; Olson, C.G.; Gu, C.; Liu, J.Z.

1991-01-01

Extraordinarily sharp spectral features at binding energies near 1eV have been observed in the photoemission spectra of untwinned, single crystal YBa 2 Cu 3 O 6.9 . This is the first observation of such distinctive electronic structure away from the near-Fermi Energy regime, It suggests that the entire valence band electronic structure, not merely the Fermiology, may provide insight into the nature of high temperature superconducting cuprates. 10 refs., 5 figs

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

Science.gov (United States)

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.

Electronic structure of ion arsenic high temperature superconductors studied by angle resolved photoemission spectroscopy