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Sample records for localized hole energy-level

  1. Perovskite Solar Cells Employing Dopant-Free Organic Hole Transport Materials with Tunable Energy Levels.

    PubMed

    Liu, Yongsheng; Hong, Ziruo; Chen, Qi; Chen, Huajun; Chang, Wei-Hsuan; Yang, Yang Michael; Song, Tze-Bin; Yang, Yang

    2016-01-20

    Conjugated small-molecule hole-transport materials (HTMs) with tunable energy levels are designed and synthesized for efficient perovskite solar cells. A champion device with efficiency of 16.2% is demonstrated using a dopant-free DERDTS-TBDT HTM, while the DORDTS-DFBT-HTM-based device shows an inferior performance of 6.2% due to its low hole mobility and unmatched HOMO level with the valence band of perovskite film. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. How to regulate energy levels and hole mobility of spiro-type hole transport materials in perovskite solar cells.

    PubMed

    Chi, Wei-Jie; Sun, Ping-Ping; Li, Ze-Sheng

    2016-10-21

    Methoxyaniline-based organic small molecules with three-dimensional structure have been proven as the most promising hole conductor for state-of-the-art perovskite devices. A fundamental understanding of the electronic properties and hole transport behavior of spiro-CPDT analogues, which is dependent on the number and position of the -OCH3 groups, is significant for their potential applications as hole transport materials of perovskite solar cells. Our results from density functional theory calculations indicate that meta-substitution is more beneficial to reduce the highest occupied molecular orbital (HOMO) levels of molecules compared with ortho- and para-substitution. Furthermore, the hole mobility can be improved by ortho-substitution or mixed ortho- and para-substitution. Most interestingly, it is found that the improvement in hole mobility is at the expense of raising the HOMO level of spiro-CPDT analogues. These results can be useful in the process of designing and synthesizing excellent hole transport materials with suitable HOMO levels and high hole mobility.

  3. Local temperature for dynamical black holes

    SciTech Connect

    Hayward, Sean A.; Di Criscienzo, R.; Nadalini, M.; Vanzo, L.; Zerbini, S.

    2009-05-01

    A local Hawking temperature was recently derived for any future outer trapping horizon in spherical symmetry, using a Hamilton-Jacobi tunneling method, and is given by a dynamical surface gravity as defined geometrically. Descriptions are given of the operational meaning of the temperature, in terms of what observers measure, and its relation to the usual Hawking temperature for static black holes. Implications for the final fate of an evaporating black hole are discussed.

  4. Localized holes in superconducting lanthanum cuprate

    SciTech Connect

    Hammel, P.C.; Statt, B.W.; Martin, R.L.; Chou, F.C.; Johnston, D.C.; Cheong, S.

    1998-01-01

    Copper NQR spectra demonstrate the existence of a second, anomalous copper site in lanthanum cuprate whose character is independent of the method of doping. We present a systematic NMR/NQR study of La{sub 2}CuO{sub 4+{delta}} for a range of {delta}, which demonstrates that the density of such sites increases with {delta}. Analysis of our results and of published data from La{sub 2{minus}x}Sr{sub x}CuO{sub 4} indicate that a substantial fraction of the doped holes in these materials localize in CuO{sub 6} octahedra adjacent to the out-of-plane dopants, and that the anomalous sites are those neighboring a site occupied by such a pinned hole. Thus, superconductivity occurs in a CuO{sub 2} plane containing many localized holes. {copyright} {ital 1998} {ital The American Physical Society}

  5. Energy level tuning of TPB-based hole-transporting materials for highly efficient perovskite solar cells.

    PubMed

    Song, Yakun; Lv, Songtao; Liu, Xicheng; Li, Xianggao; Wang, Shirong; Wei, Huiyun; Li, Dongmei; Xiao, Yin; Meng, Qingbo

    2014-12-14

    Two TPB-based HTMs were synthesized and their energy levels were tuned to match with perovskite by introducing electron-donating groups asymmetrically. The TPBC based doping-free perovskite solar cell afforded an impressive PCE of 13.10% under AM 1.5G illumination, which is the first case of an effective device with TPB-based doping-free HTMs.

  6. Characterization of photo-induced electron and hole transfer in a porphyrin based ambipolar organic molecule with cascade energy levels

    NASA Astrophysics Data System (ADS)

    Wang, Tianyang; Weerasinghe, Krishanthi C.; Sun, Haiya; Li, Ping'an; Liu, Dongzhi; Li, Wei; Hu, Wenping; Zhou, Xueqin; Wang, Lichang

    2017-08-01

    A porphyrin based ambipolar organic molecule consisting of styrene based triphenylamine derivative (MTPA) as electron donor, s-triazine group (TRC) as electron acceptor 1 and metal-free tetraphenyl porphyrin (HTPP) as electron acceptor 2 was synthesized and characterized using computational methods and electrochemical and spectroscopic measurements. The kinetics analysis indicates that the photo-induced charge-separated states, MTPA.+-TRC-HTPP.-, were generated by sequential electron transfers from MTPA to TRC then to HTPP and/or a direct hole transfer from HTPP to MTPA. In toluene, the charge-separated states were formed with 54% through electron transfer and 46% through hole transfer once MTPA moiety was excited. However, in dichloromethane, they were formed with 75% through electron transfer and 25% through hole transfer. Furthermore, more charge-separated species were generated in dichloromethane than in toluene.

  7. Global and local aspects of the surface potential landscape for energy level alignment at organic-ZnO interfaces

    NASA Astrophysics Data System (ADS)

    Stähler, Julia; Rinke, Patrick

    2017-03-01

    Hybrid systems of organic and inorganic semiconductors are a promising route for the development of novel opto-electronic and light-harvesting devices. A key ingredient for achieving a superior functionality by means of a hybrid system is the right relative position of energy levels at the interfaces of the two material classes. In this Perspective, we address the sensitivity of the potential energy landscape at various ZnO surfaces, a key ingredient for interfacial energy level alignment, by combining one- and two-photon photoelectron spectroscopy with density-functional theory calculations (DFT). We show that even very large work function changes (>2.5 eV) do not necessarily have to be accompanied by surface band bending in ZnO. Band bending - if it does occur - may be localized to few Å or extend over hundreds of nanometers with very different results for the surface work function and energy level alignment. Managing the delicate balance of different interface manipulation mechanisms in organic-inorganic hybrid systems will be a major challenge towards future applications.

  8. Energy Level Alignment in PCDTBT:PC70BM Solar Cells: Solution Processed NiOx for Improved Hole Collection and Efficiency

    SciTech Connect

    Ratcliff, E. L.; Meyer, J.; Steirer, K. X.; Armstrong, N. R.; Olson, D.; Kahn, A.

    2012-05-01

    Solution-based NiO{sub x} outperforms PEDOT:PSS in device performance and stability when used as a hole-collection layer in bulk-heterojunction (BHJ) solar cells formed with poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (PCDTBT) and PC70BM. The origin of the enhancement is clarified by studying the interfacial energy level alignment between PCDTBT or the 1:4 blended heterojunctions and PEDOT:PSS or NiO{sub x} using ultraviolet and inverse photoemission spectroscopies. The 1.6 eV electronic gap of PEDOT:PSS and energy level alignment with the BHJ result in poor hole selectivity of PEDOT:PSS and allows electron recombination at the PEDOT:PSS/BHJ interface. Conversely, the large band gap (3.7 eV) of NiO{sub x} and interfacial dipole (0.6 eV) with the organic active layer leads to a hole-selective interface. This interfacial dipole yields enhanced electron blocking properties by increasing the barrier to electron injection. The presence of such a strong dipole is predicted to further promote hole collection from the organic layer into the oxide, resulting in increased fill factor and short circuit current. An overall decrease in recombination is manifested in an increase in open circuit voltage and power conversion efficiency of the device on NiO{sub x} versus PEDOT:PSS interlayers.

  9. Excitonic energy level structure and pigment-protein interactions in the recombinant water-soluble chlorophyll protein. II. Spectral hole-burning experiments.

    PubMed

    Pieper, J; Rätsep, M; Trostmann, I; Schmitt, F-J; Theiss, C; Paulsen, H; Eichler, H J; Freiberg, A; Renger, G

    2011-04-14

    Persistent spectral hole burning at 4.5 K has been used to investigate the excitonic energy level structure and the excited state dynamics of the recombinant class-IIa water-soluble chlorophyll-binding protein (WSCP) from cauliflower. The hole-burned spectra are composed of four main features: (i) a narrow zero-phonon hole (ZPH) at the burn wavelength, (ii) a number of vibrational ZPHs, (iii) a broad low-energy hole at ~665 and ~683 nm for chlorophyll b- and chlorophyll a-WSCP, respectively, and (iv) a second satellite hole at ~658 and ~673 nm for chlorophyll b- and chlorophyll a-WSCP, respectively. The doublet of broad satellite holes is assigned to an excitonically coupled chlorophyll dimer. The lower-energy holes at ~665 and ~683 nm for chlorophyll b- and chlorophyll a-WSCP, respectively, represent the lower exciton states. Taking into account the parameters of electron-phonon coupling, the lower exciton state can be assigned as the fluorescence origin. The lower exciton state is populated by two processes: (i) exciton relaxation from the higher exciton state and (ii) vibrational relaxation within the lower exciton state. Assuming identical site energies for the two excitonically coupled chlorophyll molecules, the dipole-dipole interaction energy J is directly determined to be 85 and 100 cm(-1) for chlorophyll b- and chlorophyll a-WSCP, respectively, based on the positions of the satellite holes. The Gaussian low-energy absorption band identified by constant fluence hole burning at 4.5 K has a width of ~150 cm(-1) and peaks at 664.9 and 682.7 nm for chlorophyll b- and chlorophyll a-WSCP, respectively. The action spectrum is broader and blue-shifted compared to the fluorescent lower exciton state. This finding can be explained by a slow protein relaxation between energetically inequivalent conformational substates within the lowest exciton state in agreement with the results of Schmitt et al. (J. Phys. Chem. B2008, 112, 13951).

  10. Energy-Level Alignment of a Hole-Transport Organic Layer and ITO: Toward Applications for Organic Electronic Devices.

    PubMed

    Arnoux, Quentin; Boucly, Anthony; Barth, Vincent; Benbalagh, Rabah; Cossaro, Albano; Floreano, Luca; Silly, Mathieu; Sirotti, Fausto; Derat, Etienne; Carniato, Stéphane; Bournel, Fabrice; Gallet, Jean-Jacques; Fichou, Denis; Tortech, Ludovic; Rochet, François

    2017-09-13

    2,2',6,6'-Tetraphenyl-4,4'-dipyranylidene (DIPO-Ph4) was grown by vacuum deposition on an indium tin oxide (ITO) substrate. The films were characterized by atomic force microscopy as well as synchrotron radiation UV and X-ray photoelectron spectroscopy to gain an insight into the material growth and to better understand the electronic properties of the ITO/DIPO-Ph4 interface. To interpret our spectroscopic data, we consider the formation of cationic DIPO-Ph4 at the ITO interface owing to a charge transfer from the organic layer to the substrate. Ionization energy DFT calculations of the neutral and cationic species substantiate this hypothesis. Finally, we present the energetic diagram of the ITO/DIPO-Ph4 system, and we discuss the application of this interface in various technologically relevant systems, as a hole-injector in OLEDs or as a hole-collector interfacial layer adjacent to the prototypical OPV layer P3HT:PCBM.

  11. CH3NH3PbI3-xClx under Different Fabrication Strategies: Electronic Structures and Energy-Level Alignment with an Organic Hole Transport Material.

    PubMed

    Wang, Rongbin; Wu, Chen; Hu, Yun; Li, Jitao; Shen, Pengfei; Wang, Qi; Liao, Liangsheng; Liu, Lijia; Duhm, Steffen

    2017-03-01

    We report a photoelectron spectroscopy study on the electronic structure of CH3NH3PbI3-xClx thin films fabricated by physical evaporation from CH3NH3I and PbCl2 precursors, including (1) simultaneously evaporation and (2) sequential evaporation. The results are compared with CH3NH3PbI3-xClx made using conventional solution chemistry (i.e., spin-coating). Depending on the fabrication method, CH3NH3PbI3-xClx films show different chemical constituents in the near-surface region, leading to disparities in their energetic levels. The chemical identities of the surface species are revealed by an in situ study on the sequentially evaporated film. Moreover, air-exposure treatment also greatly alters the energetic levels of the film. Using hole transport layer of N,N'-di(1-naphthyl)-N,N'-diphenylbenzidine (NPB) as a model system, we find that the energy-level alignment with the spin-coated film after air exposure is most suitable for efficient hole transport.

  12. Black holes and local dark matter

    NASA Technical Reports Server (NTRS)

    Hegyi, D. J.; Kolb, E. W.; Olive, K. A.

    1986-01-01

    Two independent constraints are placed on the amount of dark matter in black holes contained in the galactic disk. First, gas accretion by black holes leads to X-ray emission which cannot exceed the observed soft X-ray background. Second, metals produced in stellar processes that lead to black hole formation cannot exceed the observed disk metal abundance. Based on these constraints, it appears unlikely that the missing disk mass could be contained in black holes. A consequence of this conclusion is that at least two different types of dark matter are needed to solve the various missing mass problems.

  13. The Most Massive Black Holes in the Local Universe

    NASA Astrophysics Data System (ADS)

    Ma, Chung-Pei

    2017-01-01

    For over three decades, the giant elliptical galaxy Messier 87 in the Virgo Cluster has hosted the most massive known black hole in the local universe. New observational data in the past several years have substantially expanded dynamical measurements of black hole masses at the centers of nearby galaxies. I will describe recent progress in discovering black holes up to twenty billion solar masses. This new population of supermassive black holes is revising our understanding of the symbiotic relationship between black holes and galaxies, and of the gravitational wave signals from merging binaries targeted by ongoing pulsar timing array experiments.

  14. Local structure of numerically generated worm hole spacetime.

    NASA Astrophysics Data System (ADS)

    Siino, M.

    The author investigates the evolution of the apparent horizons in a numerically gererated worm hole spacetime. The behavior of the apparent horizons is affected by the dynamics of the matter field. By using the local mass of the system, he interprets the evolution of the worm hole structure.

  15. Local Operators in the Eternal Black Hole.

    PubMed

    Papadodimas, Kyriakos; Raju, Suvrat

    2015-11-20

    In the AdS/CFT correspondence, states obtained by Hamiltonian evolution of the thermofield doubled state are also dual to an eternal black-hole geometry, which is glued to the boundary with a time shift generated by a large diffeomorphism. We describe gauge-invariant relational observables that probe the black hole interior in these states and constrain their properties using effective field theory. By adapting recent versions of the information paradox we show that these observables are necessarily described by state-dependent bulk-boundary maps, which we construct explicitly.

  16. Symmetry breaking and hole localization in multiple core electron ionization.

    PubMed

    Carravetta, V; Ågren, H

    2013-08-08

    Motivated by recent opportunitites to study hollow molecules with multiple core holes offered by X-ray free electron lasers, we revisit the core-hole localization and symmetry breaking problem, now studying ionization of more than one core electron. It is shown, using a N2 molecule with one, two, three, and four core holes, for example, that in a multiconfigurational determination of the core ionization potentials employing a molecular point group with broken inversion symmetry, one particular configuration is sufficient to account for the symmetry breaking relaxation energy in an independent particle approximation in the case of one or three holes, whereas the choice of point group symmetry is unessential for two and four holes. The relaxation energy follows a quadratic dependence on the number of holes in both representations.

  17. Slant-hole collimator, dual mode sterotactic localization method

    DOEpatents

    Weisenberger, Andrew G.

    2002-01-01

    The use of a slant-hole collimator in the gamma camera of dual mode stereotactic localization apparatus allows the acquisition of a stereo pair of scintimammographic images without repositioning of the gamma camera between image acquisitions.

  18. Weighing the black hole via quasi-local energy

    NASA Astrophysics Data System (ADS)

    Ha, Yuan K.

    2017-08-01

    We set to weigh the black holes at their event horizons in various spacetimes and obtain masses which are substantially higher than their asymptotic values. In each case, the horizon mass of a Schwarzschild, Reissner-Nordström, or Kerr black hole is found to be twice the irreducible mass observed at infinity. The irreducible mass does not contain electrostatic or rotational energy, leading to the inescapable conclusion that particles with electric charges and spins cannot exist inside a black hole. This is proposed as the External Energy Paradigm. A higher mass at the event horizon and its neighborhood is obligatory for the release of gravitational waves in binary black hole merging. We describe how these horizon mass values are obtained in the quasi-local energy approach and applied to the black holes of the first gravitational waves GW150914.

  19. Supermassive black holes in local galaxies

    NASA Astrophysics Data System (ADS)

    Bender, Ralf; Saglia, Roberto P.

    2007-01-01

    Over the past decade we have learned that probably all ellipticals and bulges of galaxies contain central supermassive black holes (SMBH). SMBH masses correlate well with the luminosities, and in turn the stellar masses of the bulges harboring them, with about 0.15% of the bulge mass being found in the SMBH. Pure disk galaxies, on the other hand, do not, in general, seem to contain SMBHs. Here we review the best cases for SMBH detection in galaxies, discuss methods and associated uncertainties, summarize correlations between SMBH masses and host galaxy properties, and finally address possible future developments. To cite this article: R. Bender, R.P. Saglia, C. R. Physique 8 (2007).

  20. Polaronic Hole Localization and Multiple Hole Binding of Acceptors in Oxide Wide-Gap Semiconductors

    SciTech Connect

    Lany, S.; Zunger, A.

    2009-01-01

    Acceptor-bound holes in oxides often localize asymmetrically at one out of several equivalent oxygen ligands. Whereas Hartree-Fock (HF) theory overly favors such symmetry-broken polaronic hole localization in oxides, standard local-density (LD) calculations suffer from spurious delocalization among several oxygen sites. These opposite biases originate from the opposite curvatures of the energy as a function of the fractional occupation number n, i.e., d{sup 2}E/dn{sup 2}<0 in HF and d{sup 2}E/dn{sup 2}>0 in LD. We recover the correct linear behavior, d{sup 2}E/dn{sup 2}=0, that removes the (de)localization bias by formulating a generalized Koopmans condition. The correct description of oxygen hole localization reveals that the cation-site nominal single acceptors in ZnO, In{sub 2}O{sub 3}, and SnO{sub 2} can bind multiple holes.

  1. Improved Constraints to the Local Supermassive Black Hole Occupation Fraction

    NASA Astrophysics Data System (ADS)

    Wu, Jianfeng; Gallo, Elena; Miller, Brendan P.

    2017-01-01

    The occupation fraction of supermassive black holes (SMBHs) in local dwarf galaxies is thought to be related to the formation mechanism of the first black holes in the early Universe. Light black hole seeds, such as Pop III star remnants, are likely to result in a significantly higher occupation fraction compared to heavy seeds (~104 solar mass) arising from the global collapse of massive gas clouds. Chandra observations of nearby dwarf galaxies can push the detection threshold for SMBH activity down to the lowest observable Eddington ratios. This, folded with analytical prescriptions for the intrinsic occupation fraction across the mass spectrum, yields an observational constraints to the SMBH occupation fraction in the dwarf galaxy regime. Building on previous work by Miller et al. (2015), here we analyze a sample of ~240 early-type galaxies (D < 30 Mpc) with archival Chandra coverage, and report on our improved constraints to the local SMBH occupation fraction.

  2. Strong localization effect in magnetic two-dimensional hole systems

    SciTech Connect

    Wurstbauer, U.; Knott, S.; Zolotaryov, A.; Hansen, W.; Schuh, D.; Wegscheider, W.

    2010-01-11

    We report an extensive study of the magnetotransport properties of magnetically doped two-dimensional hole systems. Inverted manganese modulation doped InAs quantum wells with localized manganese ions providing a magnetic moment of S=5/2 were grown by molecular beam epitaxy. Strong localization effect found in low-field magnetotransport measurements on these structures can either be modified by the manganese doping density or by tuning the two-dimensional hole density p via field effect. The data reveal that the ratio between p and manganese ions inside or in close vicinity to the channel enlarges the strong localization effect. Moreover, asymmetric broadening of the doping layer due to manganese segregation is significantly influenced by strain in the heterostructure.

  3. Strong localization effect in magnetic two-dimensional hole systems

    NASA Astrophysics Data System (ADS)

    Wurstbauer, U.; Knott, S.; Zolotaryov, A.; Schuh, D.; Hansen, W.; Wegscheider, W.

    2010-01-01

    We report an extensive study of the magnetotransport properties of magnetically doped two-dimensional hole systems. Inverted manganese modulation doped InAs quantum wells with localized manganese ions providing a magnetic moment of S=5/2 were grown by molecular beam epitaxy. Strong localization effect found in low-field magnetotransport measurements on these structures can either be modified by the manganese doping density or by tuning the two-dimensional hole density p via field effect. The data reveal that the ratio between p and manganese ions inside or in close vicinity to the channel enlarges the strong localization effect. Moreover, asymmetric broadening of the doping layer due to manganese segregation is significantly influenced by strain in the heterostructure.

  4. Ligand-hole localization in oxides with unusual valence Fe

    PubMed Central

    Chen, Wei-Tin; Saito, Takashi; Hayashi, Naoaki; Takano, Mikio; Shimakawa, Yuichi

    2012-01-01

    Unusual high-valence states of iron are stabilized in a few oxides. A-site-ordered perovskite-structure oxides contain such iron cations and exhibit distinct electronic behaviors at low temperatures, e.g. charge disproportionation (4Fe4+ → 2Fe3+ + 2Fe5+) in CaCu3Fe4O12 and intersite charge transfer (3Cu2+ + 4Fe3.75+ → 3Cu3+ + 4Fe3+) in LaCu3Fe4O12. Here we report the synthesis of solid solutions of CaCu3Fe4O12 and LaCu3Fe4O12 and explain how the instabilities of their unusual valence states of iron are relieved. Although these behaviors look completely different from each other in simple ionic models, they can both be explained by the localization of ligand holes, which are produced by the strong hybridization of iron d and oxygen p orbitals in oxides. The localization behavior in the charge disproportionation of CaCu3Fe4O12 is regarded as charge ordering of the ligand holes, and that in the intersite charge transfer of LaCu3Fe4O12 is regarded as a Mott transition of the ligand holes. PMID:22690318

  5. Ligand-hole localization in oxides with unusual valence Fe.

    PubMed

    Chen, Wei-Tin; Saito, Takashi; Hayashi, Naoaki; Takano, Mikio; Shimakawa, Yuichi

    2012-01-01

    Unusual high-valence states of iron are stabilized in a few oxides. A-site-ordered perovskite-structure oxides contain such iron cations and exhibit distinct electronic behaviors at low temperatures, e.g. charge disproportionation (4Fe⁴⁺ → 2Fe³⁺ + 2Fe⁵⁺) in CaCu₃Fe₄O₁₂ and intersite charge transfer (3Cu²⁺ + 4Fe³·⁷⁵⁺ → 3Cu³⁺ + 4Fe³⁺) in LaCu₃Fe₄O₁₂. Here we report the synthesis of solid solutions of CaCu₃Fe₄O₁₂ and LaCu₃Fe₄O₁₂ and explain how the instabilities of their unusual valence states of iron are relieved. Although these behaviors look completely different from each other in simple ionic models, they can both be explained by the localization of ligand holes, which are produced by the strong hybridization of iron d and oxygen p orbitals in oxides. The localization behavior in the charge disproportionation of CaCu₃Fe₄O₁₂ is regarded as charge ordering of the ligand holes, and that in the intersite charge transfer of LaCu₃Fe₄O₁₂ is regarded as a Mott transition of the ligand holes.

  6. Hole localization, water dissociation mechanisms, and band alignment at aqueous-titania interfaces

    NASA Astrophysics Data System (ADS)

    Lyons, John L.

    Photocatalytic water splitting is a promising method for generating clean energy, but materials that can efficiently act as photocatalysts are scarce. This is in part due to the fact that exposure to water can strongly alter semiconductor surfaces and therefore photocatalyst performance. Many materials are not stable in aqueous environments; in other cases, local changes in structure may occur, affecting energy-level alignment. Even in the simplest case, dynamic fluctuations modify the organization of interface water. Accounting for such effects requires knowledge of the dominant local structural motifs and also accurate semiconductor band-edge positions, making quantitative prediction of energy-level alignments computationally challenging. Here we employ a combined theoretical approach to study the structure, energy alignment, and hole localization at aqueous-titania interfaces. We calculate the explicit aqueous-semiconductor interface using ab initio molecular dynamics, which provides the fluctuating atomic structure, the extent of water dissociation, and the resulting electrostatic potential. For both anatase and rutile TiO2 we observe spontaneous water dissociation and re-association events that occur via distinct mechanisms. We also find a higher-density water layer occurring on anatase. In both cases, we find that the second monolayer of water plays a crucial role in controlling the extent of water dissociation. Using hybrid functional calculations, we then investigate the propensity for dissociated waters to stabilize photo-excited carriers, and compare the results of rutile and anatase aqueous interfaces. Finally, we use the GW approach from many-body perturbation theory to obtain the position of semiconductor band edges relative to the occupied 1b1 level and thus the redox levels of water, and examine how local structural modifications affect these offsets. This work was performed in collaboration with N. Kharche, M. Z. Ertem, J. T. Muckerman, and M. S

  7. Exploring the effect of hole localization on the charge-phonon dynamics of hole doped delafossite.

    PubMed

    Mazumder, Nilesh; Mandal, Prasanta; Roy, Rajarshi; Ghorai, Uttam Kumar; Saha, Subhajit; Chattopadhyay, Kalyan Kumar

    2017-09-20

    For weak or moderate doping, electrical measurement is not suitable for detecting changes in the charge localization inside a semiconductor. Here, to investigate the nature of charge-phonon coupling in the presence of gradually delocalized holes within a weak doping regime (~10(16) cm(-3)), we examine the temperature dependent Raman spectra (303-817 K) of prototype hole doped delafossite [Formula: see text] (x  =  0/0.03, y  =  0/0.01). For both [Formula: see text] and [Formula: see text] phonons, negative lineshape asymmetry and relative thermal hardening are distinctly observed upon [Formula: see text] and [Formula: see text] doping. Using Allen formalism, charge density of states at the Fermi level per spin and molecule, and charge delocalization associated to [Formula: see text] plane, are estimated to increase appreciably upon codoping compared to the [Formula: see text]-axis. We delineate the interdependence between charge-phonon coupling constant ([Formula: see text]) and anharmonic phonon lifetime ([Formula: see text]), and deduce that excitation of delocalized holes weakly coupled with phonons of larger [Formula: see text] is the governing feature of observed Fano asymmetry ([Formula: see text]) reversal.

  8. Exploring the effect of hole localization on the charge-phonon dynamics of hole doped delafossite

    NASA Astrophysics Data System (ADS)

    Mazumder, Nilesh; Mandal, Prasanta; Roy, Rajarshi; Ghorai, Uttam Kumar; Saha, Subhajit; Chattopadhyay, Kalyan Kumar

    2017-09-01

    For weak or moderate doping, electrical measurement is not suitable for detecting changes in the charge localization inside a semiconductor. Here, to investigate the nature of charge-phonon coupling in the presence of gradually delocalized holes within a weak doping regime (~1016 cm-3), we examine the temperature dependent Raman spectra (303-817 K) of prototype hole doped delafossite CuC{{r}1-x}M{{g}x}{{O}2-y}{{S}y} (x  =  0/0.03, y  =  0/0.01). For both {{E}g} and {{A}1g} phonons, negative lineshape asymmetry and relative thermal hardening are distinctly observed upon SO× and (MgCr\\bullet+SO×) doping. Using Allen formalism, charge density of states at the Fermi level per spin and molecule, and charge delocalization associated to a - b plane, are estimated to increase appreciably upon codoping compared to the c -axis. We delineate the interdependence between charge-phonon coupling constant (λ ) and anharmonic phonon lifetime ({τanh} ), and deduce that excitation of delocalized holes weakly coupled with phonons of larger {τanh} is the governing feature of observed Fano asymmetry (q ) reversal.

  9. Entropy localization and extensivity in the semiclassical black hole evaporation

    SciTech Connect

    Casini, H.

    2009-01-15

    I aim to quantify the distribution of information in the Hawking radiation and inside the black hole in the semiclassical evaporation process. The structure of relativistic quantum field theory does not allow one to define a localized entropy unambiguously, but rather forces one to consider the shared information (mutual information) between two different regions of space-time. Using this tool, I first show that the entropy of a thermal gas at the Unruh temperature underestimates the actual amount of (shared) information present in a region of the Rindler space. Then, I analyze the mutual information between the black hole and the late time radiation region. A well-known property of the entropy implies that this is monotonically increasing with time. This means that in the semiclassical picture it is not possible to recover the eventual purity of the initial state in the final Hawking radiation through subtle correlations established during the whole evaporation period, no matter the interactions present in the theory. I find extensivity of the entropy as a consequence of a reduction to a two dimensional conformal problem in a simple approximation. However, the extensivity of information in the radiation region in a full four dimensional calculation seems not to be guaranteed on general grounds. I also analyze the localization of shared information inside the black hole finding that a large amount of it is contained in a small, approximately flat region of space-time near the point where the horizon begins. This gives place to large violations of the entropy bounds. I show that this problem is not eased by backscattering effects and argue that a breaking of conformal invariance is necessary to delocalize the entropy. Finally, I indicate that the mutual information could lead to a way to understand the Bekenstein-Hawking black hole entropy which does not require a drastic reduction in degrees of freedom in order to regulate the entanglement entropy. On the contrary

  10. Role of two-hole localization in anion-vacancy formation on the (110) surfaces of InP and GaAs at the third regime of Langmuir evaporation

    NASA Astrophysics Data System (ADS)

    Tanimura, K.

    2004-01-01

    We study the significant Fermi-level effects on the formation rate of anion vacancies on vacuum-cleaved III-V semiconductor surfaces revealed by Semmler et al. [J. Chem Phys. 114, 445 (2001)], by applying the two-hole localization mechanism of bond rupture on semiconductor surfaces. It is shown that the increasing rate of vacancy formation with hole concentration results from the enhanced rate of two-hole localization at surface anion sites due to reduced energy separations between the Fermi energy and the energy level of the surface state composed of occupied anion dangling bonds.

  11. The black hole mass function derived from local spiral galaxies

    SciTech Connect

    Davis, Benjamin L.; Berrier, Joel C.; Shields, Douglas W.; Kennefick, Daniel; Kennefick, Julia; Seigar, Marc S.; Lacy, Claud H. S.; Hartley, Matthew T.

    2014-07-10

    We present our determination of the nuclear supermassive black hole (SMBH) mass function for spiral galaxies in the local universe, established from a volume-limited sample consisting of a statistically complete collection of the brightest spiral galaxies in the southern (δ < 0°) hemisphere. Our SMBH mass function agrees well at the high-mass end with previous values given in the literature. At the low-mass end, inconsistencies exist in previous works that still need to be resolved, but our work is more in line with expectations based on modeling of black hole evolution. This low-mass end of the spectrum is critical to our understanding of the mass function and evolution of black holes since the epoch of maximum quasar activity. The sample is defined by a limiting luminosity (redshift-independent) distance, D{sub L} = 25.4 Mpc (z = 0.00572) and a limiting absolute B-band magnitude, M{sub B}=−19.12. These limits define a sample of 140 spiral galaxies, with 128 measurable pitch angles to establish the pitch angle distribution for this sample. This pitch-angle distribution function may be useful in the study of the morphology of late-type galaxies. We then use an established relationship between the logarithmic spiral arm pitch angle and the mass of the central SMBH in a host galaxy in order to estimate the mass of the 128 respective SMBHs in this volume-limited sample. This result effectively gives us the distribution of mass for SMBHs residing in spiral galaxies over a lookback time, t{sub L} ≤ 82.1 h{sub 67.77}{sup −1} Myr and contained within a comoving volume, V{sub C} = 3.37 × 10{sup 4} h{sub 67.77}{sup −3} Mpc{sup 3}. We estimate that the density of SMBHs residing in spiral galaxies in the local universe is ρ=5.54{sub −2.73}{sup +6.55} × 10{sup 4} h{sub 67.77}{sup 3} M{sub ☉} Mpc{sup –3}. Thus, our derived cosmological SMBH mass density for spiral galaxies is Ω{sub BH}=4.35{sub −2.15}{sup +5.14} × 10{sup –7} h{sub 67.77}. Assuming that

  12. Energy levels of bilayer graphene quantum dots

    NASA Astrophysics Data System (ADS)

    da Costa, D. R.; Zarenia, M.; Chaves, Andrey; Farias, G. A.; Peeters, F. M.

    2015-09-01

    Within a tight binding approach we investigate the energy levels of hexagonal and triangular bilayer graphene (BLG) quantum dots (QDs) with zigzag and armchair edges. We study AA- and AB- (Bernal) stacked BLG QDs and obtain the energy levels in both the absence and the presence of a perpendicular electric field (i.e., biased BLG QDs). Our results show that the size dependence of the energy levels is different from that of monolayer graphene QDs. The energy spectrum of AB-stacked BLG QDs with zigzag edges exhibits edge states which spread out into the opened energy gap in the presence of a perpendicular electric field. We found that the behavior of these edges states is different for the hexagonal and triangular geometries. In the case of AA-stacked BLG QDs, the electron and hole energy levels cross each other in both cases of armchair and zigzag edges as the dot size or the applied bias increases.

  13. Localized hole effects in inner-shell excitation

    SciTech Connect

    Rescigno, T.N.; Orel, A.E.

    1983-10-14

    Ab initio calculations of valence shell ionization potentials have shown that orbital relaxation and correlation differences usually make contributions of comparable magnitude. In marked contrast to this observation is the situation for deep core ionization, where correlation differences (approx. 1 eV) play a relatively minor role compared to orbital relaxation (approx. 20 eV). Theoretical calculations have shown that this relaxation is most easily described if the 1s-vacancy created by a K-shell excitation is allowed to localize on one of the atomic centers. For molecules possessing a center of inversion, this means that the molecular orbitals that best describe the final state do not transform as any irreducible representation of the molecular point group. Recent experimental work by Shaw, King, Read and Cvejanovic and by Stefani and coworkers has prompted us to carry out further calculations on N/sub 2/, as well as analogous investigations of 1s/sub N/ ..-->.. ..pi..* excitation in NO and N/sub 2/O. The generalized oscillator strengths display a striking similarity and point to the essential correctness of the localized hole picture for N/sub 2/. The theoretical calculations are briefly described, followed by a summary of the results and comparison to experiment, followed by a short discussion.

  14. Influence of large local and non-local bispectra on primordial black hole abundance

    SciTech Connect

    Young, Sam; Regan, Donough; Byrnes, Christian T. E-mail: D.Regan@sussex.ac.uk

    2016-02-01

    Primordial black holes represent a unique probe to constrain the early universe on small scales—providing the only constraints on the primordial power spectrum on the majority of scales. However, these constraints are strongly dependent on even small amounts of non-Gaussianity, which is unconstrained on scales significantly smaller than those visible in the CMB. This paper goes beyond previous considerations to consider the effects of a bispectrum of the equilateral, orthogonal and local shapes with arbitrary magnitude upon the abundance of primordial black holes. Non-Gaussian density maps of the early universe are generated from a given bispectrum and used to place constraints on the small scale power spectrum. When small, we show that the skewness provides an accurate estimate for how the constraint depends on non-Gaussianity, independently of the shape of the bispectrum. We show that the orthogonal template of non-Gaussianity has an order of magnitude weaker effect on the constraints than the local and equilateral templates.

  15. Wavelength tuning of planar photonic crystals by local processing of individual holes.

    PubMed

    Kicken, H H J E; Alkemade, P F A; van der Heijden, R W; Karouta, F; Nötzel, R; van der Drift, E; Salemink, H W M

    2009-11-23

    Tuning of the resonant wavelength of a single hole defect cavity in planar photonic crystals was demonstrated using transmission spectroscopy. Local post-production processing of single holes in a planar photonic crystal is carried out after selectively opening a masking layer by focused ion beam milling. The resonance was blue-shifted by enlargement of selected holes using local wet chemical etching and red-shifted by infiltration with liquid crystals. This method can be applied to precisely control the resonant frequency, and can also be used for mode selective tuning.

  16. Localized AdS_{5}×S^{5} Black Holes.

    PubMed

    Dias, Óscar J C; Santos, Jorge E; Way, Benson

    2016-10-07

    According to heuristic arguments, global AdS_{5}×S^{5} black holes are expected to undergo a phase transition in the microcanonical ensemble. At high energies, one expects black holes that respect the symmetries of the S^{5}; at low energies, one expects "localized" black holes that appear pointlike on the S^{5}. According to anti-de Sitter/conformal field theory correspondence, N=4 supersymmetric Yang-Mills (SYM) theory on a 3-sphere should therefore exhibit spontaneous R-symmetry breaking at strong coupling. In this Letter, we numerically construct these localized black holes. We extrapolate the location of this phase transition, and compute the expectation value of the broken scalar operator with lowest conformal dimension. Via the correspondence, these results offer quantitative predictions for N=4 SYM theory.

  17. Direct Observation of Photoexcited Hole Localization in CdSe Nanorods

    SciTech Connect

    Yang, Ye; Wu, Kaifeng; Shabaev, Andrew; Efros, Alexander L.; Lian, Tianquan; Beard, Matthew C.

    2016-07-08

    Quantum-confined 1D semiconductor nanostructures are being investigated for hydrogen generation photocatalysts. In the photoreaction, after fast electron transfer, holes that remain in the nanostructure play an important role in the total quantum yield of hydrogen production. Unfortunately, knowledge of hole dynamics is limited due to lack of convenient spectroscopic signatures. Here, we directly probe hole localization dynamics within CdSe nanorods (NRs) by combining transient absorption (TA) and time-resolved terahertz (TRTS) spectroscopy. We show that when methylene blue is used as an electron acceptor, the resulting electron transfer occurs with a time constant of 3.5 +/- 0.1 ps and leaves behind a delocalized hole. However, the hole quickly localizes in the Coulomb potential well generated by the reduced electron acceptor near the NR surface with time constant of 11.7 +/- 0.2 ps. Our theoretical investigation suggests that the hole becomes confined to a ~ +/-0.8 nm region near the reduced electron acceptor and the activation energy to detrap the hole from the potential well can be as large as 235 meV.

  18. The coevolution of galaxies and supermassive black holes: a local perspective.

    PubMed

    Heckman, Timothy M; Kauffmann, Guinevere

    2011-07-08

    One of the most fascinating discoveries in the past decade was that galaxies typically contain a centrally located black hole with a mass that is millions or even billions of times that of the Sun. There is now compelling evidence that we cannot understand how galaxies formed and evolved without understanding the life cycles of these supermassive black holes (and vice versa). We summarize the current understanding of this coevolution of galaxies and supermassive black holes (based largely on observations of the local, present-day universe) and describe prospects for the future.

  19. Local invariants vanishing on stationary horizons: a diagnostic for locating black holes.

    PubMed

    Page, Don N; Shoom, Andrey A

    2015-04-10

    Inspired by the example of Abdelqader and Lake for the Kerr metric, we construct local scalar polynomial curvature invariants that vanish on the horizon of any stationary black hole: the squared norms of the wedge products of n linearly independent gradients of scalar polynomial curvature invariants, where n is the local cohomogeneity of the spacetime.

  20. Structural phase-dependent hole localization and transport in bismuth vanadate

    NASA Astrophysics Data System (ADS)

    Kweon, Kyoung E.; Hwang, Gyeong S.

    2013-05-01

    We present theoretical evidence for the phase dependence of hole localization and transport in bismuth vanadate (BiVO4). Our hybrid density-functional theory calculations predict that, in the tetragonal phase [tetragonal scheelite BiVO4 (ts-BiVO4)], an excess hole tends to localize around a BiO8 polyhedron with strong lattice distortion, whereas, in the monoclinic phase [monoclinic scheelite BiVO4 (ms-BiVO4)], it spreads over many lattice sites. The phase-dependent behavior is likely related to the higher structural stability of ms-BiVO4 than ts-BiVO4, which may suppress hole-induced lattice distortions. Our study also demonstrates that the relatively weakly localized hole in ms-BiVO4 undergoes faster diffusion compared to the case of ts-BiVO4, irrespective of the fact that the degrees of localization and mobility vary depending on the choice of exchange-correlation functional. The mobility difference may provide an explanation for the enhanced photocatalytic activity of ms-BiVO4 over ts-BiVO4 for water oxidation, considering that the increased mobility would lead to an increase in the hole current to the catalyst surface.

  1. Guided wave interaction with hole damage using the local interaction simulation approach

    NASA Astrophysics Data System (ADS)

    Obenchain, Matthew B.; Cesnik, Carlos E. S.

    2014-12-01

    This paper considers the effects of hole damage on guided wave propagation in isotropic and composite plates using both the local interaction simulation approach (LISA) and experimental methods. Guided wave generation from piezoceramic wafers is modeled using the recently developed LISA hybrid approach. First, holes in isotropic plates are simulated to establish LISA's ability to capture the guided wave scattering effects of various hole sizes. Experimental results are compared with the simulations to aid in evaluating the LISA model. Next, hole damage in cross-ply composite laminates is modeled and compared with experimental results. Various hole sizes and azimuthal locations are simulated to determine the effects of varying those parameters. Results from both the isotropic and composite damage studies clearly display the ability of LISA to model hole damage. Both the simulation and experimental results illustrate the advantages and disadvantages of various sensor locations relative to the actuator and damage locations. Finally, the study shows the ability of the LISA model to capture mode conversions resulting from partial thickness holes.

  2. Local free-fall temperature of modified Schwarzschild black hole in rainbow spacetime

    NASA Astrophysics Data System (ADS)

    Kim, Yong-Wan; Park, Young-Jai

    2016-06-01

    We obtain a (5+1)-dimensional global flat embedding of modified Schwarzschild black hole in rainbow gravity. We show that local free-fall temperature in rainbow gravity, which depends on different energy ω of a test particle, is finite at the event horizon for a freely falling observer, while local temperature is divergent at the event horizon for a fiducial observer. Moreover, these temperatures in rainbow gravity satisfy similar relations to those of the Schwarzschild black hole except the overall factor g(ω), which plays a key role of rainbow functions in this embedding approach.

  3. The localized holes properties in LTO and LTT phases of lanthanum-stronthium cuprates

    SciTech Connect

    Teitel-baum, G.; Vavilova, E.; Buechner, B.

    1996-11-01

    By analyzing the {sup 139}La-NQR the authors have studied the magnetic properties of localized holes for both the orthorhombic (LTO) phase of pure as well as for the low temperature tetragonal (LTT) phase of Eu doped (La,Sr){sub 2}CuO{sub 4}. Correlated to the different superconducting properties of these phases the authors find pronounced differences in the magnetic characteristics estimated from the nuclear spin relaxation data. They are discussed in terms of variation of localized holes properties depending on the low temperature symmetry of the structure.

  4. Supermassive Black Hole Activity Within Local Early-type Galaxies

    NASA Astrophysics Data System (ADS)

    Miller, Brendan P.; Gallo, E.; Treu, T.

    2011-01-01

    We report preliminary results from an ongoing Chandra survey of 100 field early-type galaxies. This project investigates the influence of environment upon supermassive black hole (SMBH) accretion within formally inactive galaxies. The volume-limited sample has been selected to be well-matched to the recently conducted AMUSE-Virgo survey, which studied SMBHs within cluster early-type galaxies. That work resulted in the detection of nuclear X-ray sources in 32/100 objects, establishing a firm lower limit of 24-34% to the SMBH occupation fraction of normal galaxies, and found the average Eddington-scaled X-ray luminosity to be a decreasing function of SMBH mass, evidence for accretion "downsizing" (Gallo et al. 2008, 2010). Galaxies in more isolated environments have distinct properties that might influence the rate of SMBH fueling. Relative to cluster sources, field early-type galaxies have a lower probability of mergers; they also likely retain a larger fraction of hot gas (due to reduced ram-pressure stripping) and apparently contain more cold gas and tend to have younger stellar populations. The X-ray detection fraction of the field early-type galaxies is found to be comparable to that of the AMUSE-Virgo survey. We correlate the average Eddington-scaled X-ray luminosity with SMBH mass for the observed objects and compare the relation to that found for cluster galaxies. We also calculate the rate of off-nuclear X-ray sources and discuss implications for X-ray binary populations within field early-type galaxies.

  5. How do disorder, reorganization, and localization influence the hole mobility in conjugated copolymers?

    PubMed

    Hoffmann, Sebastian T; Jaiser, Frank; Hayer, Anna; Bässler, Heinz; Unger, Thomas; Athanasopoulos, Stavros; Neher, Dieter; Köhler, Anna

    2013-02-06

    In order to unravel the intricate interplay between disorder effects, molecular reorganization, and charge carrier localization, a comprehensive study was conducted on hole transport in a series of conjugated alternating phenanthrene indenofluorene copolymers. Each polymer in the series contained one further comonomer comprising monoamines, diamines, or amine-free structures, whose influence on the electronic, optical, and charge transport properties was studied. The series covered a wide range of highest occupied molecular orbital (HOMO) energies as determined by cyclovoltammetry. The mobility, inferred from time-of-flight (ToF) experiments as a function of temperature and electric field, was found to depend exponentially on the HOMO energy. Since possible origins for this effect include energetic disorder, polaronic effects, and wave function localization, the relevant parameters were determined using a range of methods. Disorder and molecular reorganization were established first by an analysis of absorption and emission measurements and second by an analysis of the ToF measurements. In addition, density functional theory calculations were carried out to determine how localized or delocalized holes on a polymer chain are and to compare calculated reorganization energies with those that have been inferred from optical spectra. In summary, we conclude that molecular reorganization has little effect on the hole mobility in this system while both disorder effects and hole localization in systems with low-lying HOMOs are predominant. In particular, as the energetic disorder is comparable for the copolymers, the absolute value of the hole mobility at room temperature is determined by the hole localization associated with the triarylamine moieties.

  6. Robust identification and localization of intramedullary nail holes for distal locking using CBCT: a simulation study.

    PubMed

    Kamarianakis, Z; Buliev, I; Pallikarakis, N

    2011-05-01

    Closed intramedullary nailing is a common technique for treatment of femur and tibia fractures. The most challenging step in this procedure is the precise placement of the lateral screws that stabilize the fragmented bone. The present work concerns the development and the evaluation of a method to accurately identify in the 3D space the axes of the nail hole canals. A limited number of projection images are acquired around the leg with the help of a C-arm. On two of them, the locking hole entries are interactively selected and a rough localization of the hole axes is performed. Perpendicularly to one of them, cone-beam computed tomography (CBCT) reconstructions are produced. The accurate identification and localization of the hole axes are done by an identification of the centers of the nail holes on the tomograms and a further 3D linear regression through principal component analysis (PCA). Various feature-based approaches (RANSAC, least-square fitting, Hough transform) have been compared for best matching the contours and the centers of the holes on the tomograms. The robustness of the suggested method was investigated using simulations. Programming is done in Matlab and C++. Results obtained on synthetic data confirm very good localization accuracy - mean translational error of 0.14 mm (std=0.08 mm) and mean angular error of 0.84° (std=0.35°) at no radiation excess. Successful localization can be further used to guide a surgeon or a robot for correct drilling the bone along the nail openings.

  7. Large local Hall effect in pin-hole dominated multigraphene spin-valves.

    PubMed

    Muduli, P K; Barzola-Quiquia, J; Dusari, S; Ballestar, A; Bern, F; Böhlmann, W; Esquinazi, P

    2013-01-11

    We report local and non-local measurements in pin-hole dominated mesoscopic multigraphene spin-valves. Local spin-valve measurements show spurious switching behavior in resistance during magnetic field sweeping similar to the signal observed due to spin injection into multigraphene. The switching behavior has been explained in terms of a local Hall effect due to a thickness irregularity of the tunnel barrier. The local Hall effect appears due to a large local magnetostatic field produced near the roughness in the AlO(x) tunnel barrier. In our samples the resistance change due to the local Hall effect remains negligibly small above 75 K. A strong local Hall effect might hinder spin injection into multigraphene, resulting in no spin signal in non-local measurements.

  8. Perpendicular Localization of Electron Holes by Spatially Inhomogeneous Flows During Magnetic Reconnection*

    NASA Astrophysics Data System (ADS)

    Newman, D. L.; Goldman, M. V.

    2008-12-01

    Bipolar fields signaling the presence of electron phase space holes have been observed in situ by satellites near regions of magnetic reconnection in Earth's magnetopause and magnetotail. In order to identify possible origins for such holes, a recent numerical study [1] employed 1D and 2D electrostatic Vlasov simulations initialized with electron and ion distributions taken from 2D electromagnetic Particle in Cell (PIC) simulations of magnetic reconnection. Both electron-electron instabilities along the X-line and electron-ion (i.e., Buneman) instabilities along the separatrix were found to be viable sources of electron holes. However, long-lived coherent Buneman-driven holes only formed when the destabilizing current was restricted to a narrow channel perpendicular to the local magnetic field vector B. In this presentation we extend the 2D Vlasov study of electron holes driven by unstable distributions to include both e-e and e-i instabilities localized in the direction perpendicular to B. Emphasis will be placed on how the ion/electron mass and temperature ratios (mi/me and Ti/Te) and the magnetization ratios (Ωe/ωe and Ωi/ωi) influence the properties of the resulting electron holes, including their spatial size and aspect ratio. Distributions from recent implicit PIC reconnection simulations [2] will be used to guide the initialization of the Vlasov simulations. *Research supported by NASA, NSF, and DOE. [1] M. V. Goldman, D. L. Newman, and P. L. Pritchett, "Vlasov Simulations of Electron Holes Driven by Particle Distributions from PIC Reconnection Simulations with a Guide Field," submitted to Geophys.~Res.~Lett. (2008). [2] A. Divin, G. Lapenta, D. L. Newman and M. V. Goldman, "Implicit PIC Simulations of Guide Field Magnetic Reconnection," this meeting.

  9. Gravitational-wave localization alone can probe origin of stellar-mass black hole mergers.

    PubMed

    Bartos, I; Haiman, Z; Marka, Z; Metzger, B D; Stone, N C; Marka, S

    2017-10-10

    The recent discovery of gravitational waves from stellar-mass binary black hole mergers by the Laser Interferometer Gravitational-wave Observatory opened the door to alternative probes of stellar and galactic evolution, cosmology and fundamental physics. Probing the origin of binary black hole mergers will be difficult due to the expected lack of electromagnetic emission and limited localization accuracy. Associations with rare host galaxy types-such as active galactic nuclei-can nevertheless be identified statistically through spatial correlation. Here we establish the feasibility of statistically proving the connection between binary black hole mergers and active galactic nuclei as hosts, even if only a sub-population of mergers originate from active galactic nuclei. Our results are the demonstration that the limited localization of gravitational waves, previously written off as not useful to distinguish progenitor channels, can in fact contribute key information, broadening the range of astrophysical questions probed by binary black hole observations.Binary black hole mergers have recently been observed through the detection of gravitational wave signatures. The authors demonstrate that their association with active galactic nuclei can be made through a statistical spatial correlation.

  10. Optics and magneto-optics of coexisting localized and free holes in GaAs quantum wells

    NASA Astrophysics Data System (ADS)

    van der Meulen, H. P.; Páramo, J. Sanchez; Calleja, J. M.; Friedland, K. J.; Hey, R.; Ploog, K.

    2000-02-01

    The photoluminescence and photoluminescence excitation spectra have been studied in two twin GaAs quantum wells containing a two-dimensional electron gas with high density and high mobility. One of the wells includes a few Be acceptors in a δ-layer at the center of the well, which localize part of the photocreated holes. In the other well the holes are free. Comparison of the optical spectra of both samples shows that the Fermi-edge singularity in emission is only observed for localized holes, while in excitation spectra both Be-bound- and free holes display the same singularity. Thus, localization of holes appears to be relevant mainly by its effect on the final-state density. Magneto-optical measurements confirm the presence of the two kinds of holes and provide estimates of their apparent effective masses.

  11. Effects of local electric surface potential on holes charging process in uncapped germanium nanocrystal

    SciTech Connect

    Marchand, Aude; El Hdiy, Abdelillah

    2015-04-21

    The charging kinetics of holes are investigated in an uncapped Ge nanocrystal by the use of the nano-electron beam induced current technique. The charging process is studied under zero volt or under an appropriate electric field. The investigation is repeated many times on the same nanocrystal and on others in the same sample to attest of the reproducibility of the results. At 0 V, the cycles of charging kinetics are superimposed and are in a steady state, but an instantaneous local and negative surface potential, established in the nanocrystal at the beginning of the kinetics, slows down the holes charging process. Under an external field, the energy band bending accentuation affects the holes charging time constants. As a result, the holes charging cycles weakly affect the electrical performance of the thin oxide as is indicated by the value of the measured local resistivity of 6 × 10{sup 10}–10{sup 11} Ω cm, which is relatively lower than that of the thick thermal oxide.

  12. Magnetic field dependence of energy levels in biased bilayer graphene quantum dots

    NASA Astrophysics Data System (ADS)

    da Costa, D. R.; Zarenia, M.; Chaves, Andrey; Farias, G. A.; Peeters, F. M.

    2016-02-01

    Using the tight-binding approach, we study the influence of a perpendicular magnetic field on the energy levels of hexagonal, triangular, and circular bilayer graphene (BLG) quantum dots (QDs) with zigzag and armchair edges. We obtain the energy levels for AB (Bernal)-stacked BLG QDs in both the absence and the presence of a perpendicular electric field (i.e., biased BLG QDs). We find different regions in the spectrum of biased QDs with respect to the crossing point between the lowest-electron and -hole Landau levels of a biased BLG sheet. Those different regions correspond to electron states that are localized at the center, edge, or corner of the BLG QD. Quantum Hall corner states are found to be absent in circular BLG QDs. The spatial symmetry of the carrier density distribution is related to the symmetry of the confinement potential, the position of zigzag edges, and the presence or absence of interlayer inversion symmetry.

  13. Hole weak anti-localization in a strained-Ge surface quantum well

    NASA Astrophysics Data System (ADS)

    Mizokuchi, R.; Torresani, P.; Maurand, R.; Zeng, Z.; Niquet, Y.-M.; Myronov, M.; De Franceschi, S.

    2017-08-01

    We report a magneto-transport study of a two-dimensional hole gas confined to a strained Ge quantum well grown on a relaxed Si0.2Ge0.8 virtual substrate. The conductivity of the hole gas measured as a function of a perpendicular magnetic field exhibits a zero-field peak resulting from weak anti-localization. The peak develops and becomes stronger upon increasing the hole density by means of a top gate electrode. This behavior is consistent with a Rashba-type spin-orbit coupling whose strength is proportional to the perpendicular electric field and hence to the carrier density. In the low-density, the single-subband regime, by fitting the weak anti-localization peak to an analytic model, we extract the characteristic transport time scales and a spin splitting energy ΔSO˜ 1 meV. Tight-binding calculations show that ΔSO is dominated by a cubic term in the in-plane wave vector. Finally, we observe a weak anti-localization peak also for magnetic fields parallel to the quantum well and associate this finding to an effect of intersubband scattering induced by interface defects.

  14. Finite N and the failure of bulk locality: black holes in AdS/CFT

    NASA Astrophysics Data System (ADS)

    Kabat, Daniel; Lifschytz, Gilad

    2014-09-01

    We consider bulk quantum fields in AdS/CFT in the background of an eternal black hole. We show that for black holes with finite entropy, correlation functions of semiclassical bulk operators close to the horizon deviate from their semiclassical value and are ill-defined inside the horizon. This is due to the large-time behavior of correlators in a unitary CFT, and means the region near and inside the horizon receives corrections. We give a prescription for modifying the definition of a bulk field in a black hole background, such that one can still define operators that mimic the inside of the horizon, but at the price of violating microcausality. For supergravity fields we find that commutators at spacelike separation generically ~ e - S/2. Similar results hold for stable black holes that form in collapse. The general lesson may be that a small amount of non-locality, even over arbitrarily large spacelike distances, is an essential aspect of non-perturbative quantum gravity.

  15. Guided Wave Based Crack Detection in the Rivet Hole Using Global Analytical with Local FEM Approach.

    PubMed

    Bhuiyan, Md Yeasin; Shen, Yanfeng; Giurgiutiu, Victor

    2016-07-21

    In this article, ultrasonic guided wave propagation and interaction with the rivet hole cracks has been formulated using closed-form analytical solution while the local damage interaction, scattering, and mode conversion have been obtained from finite element analysis. The rivet hole cracks (damage) in the plate structure gives rise to the non-axisymmetric scattering of Lamb wave, as well as shear horizontal (SH) wave, although the incident Lamb wave source (primary source) is axisymmetric. The damage in the plate acts as a non-axisymmetric secondary source of Lamb wave and SH wave. The scattering of Lamb and SH waves are captured using wave damage interaction coefficient (WDIC). The scatter cubes of complex-valued WDIC are formed that can describe the 3D interaction (frequency, incident direction, and azimuth direction) of Lamb waves with the damage. The scatter cubes are fed into the exact analytical framework to produce the time domain signal. This analysis enables us to obtain the optimum design parameters for better detection of the cracks in a multiple-rivet-hole problem. The optimum parameters provide the guideline of the design of the sensor installation to obtain the most noticeable signals that represent the presence of cracks in the rivet hole.

  16. Guided Wave Based Crack Detection in the Rivet Hole Using Global Analytical with Local FEM Approach

    PubMed Central

    Bhuiyan, Md Yeasin; Shen, Yanfeng; Giurgiutiu, Victor

    2016-01-01

    In this article, ultrasonic guided wave propagation and interaction with the rivet hole cracks has been formulated using closed-form analytical solution while the local damage interaction, scattering, and mode conversion have been obtained from finite element analysis. The rivet hole cracks (damage) in the plate structure gives rise to the non-axisymmetric scattering of Lamb wave, as well as shear horizontal (SH) wave, although the incident Lamb wave source (primary source) is axisymmetric. The damage in the plate acts as a non-axisymmetric secondary source of Lamb wave and SH wave. The scattering of Lamb and SH waves are captured using wave damage interaction coefficient (WDIC). The scatter cubes of complex-valued WDIC are formed that can describe the 3D interaction (frequency, incident direction, and azimuth direction) of Lamb waves with the damage. The scatter cubes are fed into the exact analytical framework to produce the time domain signal. This analysis enables us to obtain the optimum design parameters for better detection of the cracks in a multiple-rivet-hole problem. The optimum parameters provide the guideline of the design of the sensor installation to obtain the most noticeable signals that represent the presence of cracks in the rivet hole. PMID:28773724

  17. Crystal field energy levels, spin-Hamiltonian parameters and local structures for the Cr3+ and Mn4+ centers in La3Ga5SiO14 crystals

    NASA Astrophysics Data System (ADS)

    Mei, Yang; Chen, Bo-Wei; Zheng, Wen-Chen; Li, Bang-Xing

    2017-02-01

    The crystal field energy levels (obtained from optical spectra) together with the spin-Hamiltonian parameters g//, g⊥ and D (obtained from EPR spectra) for 3d3 ions Cr3+ and Mn4+ at the trigonal octahedral Ga3+ sites in La3Ga5SiO14 crystals are computed from the complete diagonalization (of energy matrix) method based on the two-spin-orbit-parameter model. The model takes into account the contributions due to the spin-orbit parameter of central dn ion (in the traditional crystal field theory) and that of ligand ions via covalence effect. The calculated results are in rational accord with the experimental values. The calculations also imply that the covalence of (MnO6)8- center in La3Ga5SiO14 crystals is stronger than that of (CrO6)9- center, and the impurity-induced local lattice relaxation for (MnO6)8- center is larger than that for (CrO6)9- cluster because of the larger size and charge mismatch for Mn4+ replacing Ga3+ in La3Ga5SiO14 crystals.

  18. Stress concentration localization in doubly periodic square systems of circular holes in uniaxial compression

    NASA Astrophysics Data System (ADS)

    Mokryakov, V. V.

    2016-07-01

    We consider the stress concentration points in infinite elastic doubly periodic perforated plates (lattices) under the conditions of external uniaxial compression. Special attention is paid to the internal localization of stress concentrations (i.e., to the case of stress concentration origination inside the material rather than on the boundaries of the holes). We consider a parametric domain (depending on the angle of application of the external load and the structure parameter of the lattice) and calculate the domain dimensions (the extreme values of the parameters). We discover a point in the parametric domain at which the following three cases of fracture initiation are possible: two cases on the hole contour and one case inside the material.

  19. Local conformal symmetry in black holes, standard model, and quantum gravity

    NASA Astrophysics Data System (ADS)

    Hooft, Gerard ’T.

    The black hole information problem and the firewall problem can be addressed by assuming an extra local symmetry: conformal invariance. It must be an exact symmetry, spontaneously broken by the vacuum, in a way similar to the Brout-Englert-Higgs (BEH) mechanism. We note how this symmetry formally removes the horizon and the singularity inside black holes. For the Standard Model this symmetry is severely restrictive, demanding all coupling constants, masses and even the cosmological constant to be computable, in principle. Finally, this symmetry suggests that the Weyl action (the square of the Weyl curvature) should be added to the Einstein-Hilbert action. The ensuing indefinite metric states are briefly studied, and we conclude with some remarks concerning the interpretation of quantum mechanics.

  20. Hole localization in Fe2O3 from density functional theory and wave-function-based methods

    NASA Astrophysics Data System (ADS)

    Ansari, Narjes; Ulman, Kanchan; Camellone, Matteo Farnesi; Seriani, Nicola; Gebauer, Ralph; Piccinin, Simone

    2017-08-01

    Hematite (α -Fe2O3 ) is a promising photocatalyst material for water splitting, where photoinduced holes lead to the oxidation of water and the release of molecular oxygen. In this work, we investigate the properties of holes in hematite using density functional theory (DFT) calculations with hybrid functionals. We find that holes form small polarons and, depending on the fraction of exact exchange included in the PBE0 functional, the site where the holes localize changes from Fe to O. We find this result to be independent of the size and structure of the system: small Fe2O3 clusters with tetrahedral coordination, larger clusters with octahedral coordination, Fe2O3 (001) surfaces in contact with water, and bulk Fe2O3 display a very similar behavior in terms of hole localization as a function of the fraction of exact exchange. We then use wave-function-based methods such as coupled cluster with single and double excitations and Møller-Plesset second-order perturbation theory applied on a cluster model of Fe2O3 to shed light on which of the two solutions is correct. We find that these high-level quantum chemistry methods suggest holes in hematite are localized on oxygen atoms. We also explore the use of the DFT +U approach as a computationally convenient way to overcome the known limitations of generalized gradient approximation functionals and recover a gap in line with experiments and hole localization on oxygen in agreement with quantum chemistry methods.

  1. Surface structure and hole localization in bismuth vanadate: A first principles study

    NASA Astrophysics Data System (ADS)

    Kweon, Kyoung E.; Hwang, Gyeong S.

    2013-09-01

    The monoclinic and tetragonal phases of bismuth vanadate (BiVO4) have been found to exhibit significantly different photocatalytic activities for water splitting. To assess a possible surface effect on the phase-dependent behavior, we calculate and compare the geometries and electronic structures of the monoclinic and tetragonal BiVO4 (001) surfaces using hybrid density functional theory. The relaxed atomic configurations of these two surfaces are found to be nearly identical, while an excess hole shows a relatively stronger tendency to localize at the surface than the bulk in both phases. Possible factors for the phase-dependent photocatalytic activity of BiVO4 are discussed.

  2. Spin response to localized pumps: Exciton polaritons versus electrons and holes

    NASA Astrophysics Data System (ADS)

    Sacksteder, Vincent; Pervishko, A. A.; Shelykh, I. A.

    2016-02-01

    Polariton polarization can be described in terms of a pseudospin which can be oriented along the x ,y , or z axis, similarly to electron and hole spin. Unlike electrons and holes where time-reversal symmetry requires that the spin-orbit interaction be odd in the momentum, the analog of the spin-orbit interaction for polaritons, the so-called TE-TM splitting, is even in the momentum. We calculate and compare spin transport of polariton, electron, and hole systems, in the diffusive regime of many scatterings. After dimensional rescaling diffusive systems with spatially uniform particle densities have identical dynamics, regardless of the particle type. Differences between the three particles appear in spatially nonuniform systems, with pumps at a specific localized point. We consider both oscillating pumps and transient (delta function) pumps. In such systems each particle type produces distinctive spin patterns. The particles can be distinguished by their differing spatial multipole character, their response and resonances in a perpendicular magnetic field, and their relative magnitude which is largest for electrons and weakest for holes. These patterns are manifested both in response to unpolarized pumps which produce in-plane and perpendicular spin signals, and to polarized pumps where the spin precesses from in-plane to out-of-plane and vice versa. These results will be useful for designing systems with large spin polarization signals, for identifying the dominant spin-orbit interaction and measuring subdominant terms in experimental devices, and for measuring the scattering time and the spin-orbit coupling's magnitude.

  3. Localization and characterization of fatigue cracks around fastener holes using spherically focused ultrasonic probes

    NASA Astrophysics Data System (ADS)

    Hopkins, Deborah; Datuin, Marvin; Aldrin, John; Warchol, Mark; Warchol, Lyudmila; Forsyth, David

    2017-02-01

    Results are presented from laboratory experiments and simulations that demonstrate the ability to localize fatigue cracks around fastener holes using spherically focused ultrasonic probes for shear-wave inspections. For the experiments, fatigue cracks were created in aluminum plates in a testing frame under cyclic loading. With the exceptions of one specimen with a mid-bore crack and another with a "through" crack, the remaining specimens contain surface-breaking cracks. All of the specimens were inspected for the cracks intersecting the back wall, and some were flipped over and re-inspected with the crack intersecting the front surface. Parameter and variable sensitivity studies were performed using CIVA Simulation Software. In contrast to C-scans where detection and localization of small cracks can be very difficult, modeling and initial experimental results demonstrate that cracks can be accurately located in "True" B-scans (B-scans projected in the part along the beam path). Initial results show that small-amplitude diffracted/scattered signals from the crack tips and edges are essential in obtaining clear crack traces in the True B-scans. It is important therefore that experimental data be acquired with sufficient gain to capture the diffracted/scattered signals. In all of the cases studied here, saturating the high-amplitude specular reflections from the fastener hole and crack enhanced the crack trace in the True B-scans.

  4. Particle-hole symmetry, many-body localization, and topological edge modes

    NASA Astrophysics Data System (ADS)

    Vasseur, Romain; Friedman, Aaron J.; Parameswaran, S. A.; Potter, Andrew C.

    We study the excited states of interacting fermions in one dimension with particle-hole symmetric disorder (equivalently, random-bond XXZ chains) using a combination of renormalization group methods and exact diagonalization. Absent interactions, the entire many-body spectrum exhibits infinite-randomness quantum critical behavior with highly degenerate excited states. We show that though interactions are an irrelevant perturbation in the ground state, they drastically affect the structure of excited states: even arbitrarily weak interactions split the degeneracies in favor of thermalization (weak disorder) or spontaneously broken particle-hole symmetry, driving the system into a many-body localized spin glass phase (strong disorder). In both cases, the quantum critical properties of the non-interacting model are destroyed, either by thermal decoherence or spontaneous symmetry breaking. This system then has the interesting and counterintuitive property that edges of the many-body spectrum are less localized than the center of the spectrum. We argue that our results rule out the existence of certain excited state symmetry-protected topological orders. Supported by the Gordon and Betty Moore Foundation's EPiQS Initiative (Grant GBMF4307 (ACP), the Quantum Materials Program at LBNL (RV), NSF Grant DMR-1455366 and UCOP Research Catalyst Award No. CA-15-327861 (SAP).

  5. Effects of hole localization on limiting p-type conductivity in oxide and nitride semiconductors

    SciTech Connect

    Lyons, J. L.; Janotti, A.; Van de Walle, C. G.

    2014-01-07

    We examine how hole localization limits the effectiveness of substitutional acceptors in oxide and nitride semiconductors and explain why p-type doping of these materials has proven so difficult. Using hybrid density functional calculations, we find that anion-site substitutional impurities in AlN, GaN, InN, and ZnO lead to atomic-like states that localize on the impurity atom itself. Substitution with cation-site impurities, on the other hand, triggers the formation of polarons that become trapped on nearest-neighbor anions, generally leading to large ionization energies for these acceptors. Unlike shallow effective-mass acceptors, these two types of deep acceptors couple strongly with the lattice, significantly affecting the optical properties and severely limiting prospects for achieving p-type conductivity in these wide-band-gap materials.

  6. LOCAL LUMINOUS INFRARED GALAXIES. III. CO-EVOLUTION OF BLACK HOLE GROWTH AND STAR FORMATION ACTIVITY?

    SciTech Connect

    Alonso-Herrero, Almudena; Hernan-Caballero, Antonio; Pereira-Santaella, Miguel; Rieke, George H.; Diamond-Stanic, Aleksandar M.; Wang Yiping; Rigopoulou, Dimitra

    2013-03-10

    Local luminous infrared (IR) galaxies (LIRGs) have both high star formation rates (SFR) and a high AGN (Seyfert and AGN/starburst composite) incidence. Therefore, they are ideal candidates to explore the co-evolution of black hole (BH) growth and star formation (SF) activity, not necessarily associated with major mergers. Here, we use Spitzer/IRS spectroscopy of a complete volume-limited sample of local LIRGs (distances of <78 Mpc). We estimate typical BH masses of 3 Multiplication-Sign 10{sup 7} M{sub Sun} using [Ne III] 15.56 {mu}m and optical [O III] {lambda}5007 gas velocity dispersions and literature stellar velocity dispersions. We find that in a large fraction of local LIRGs, the current SFR is taking place not only in the inner nuclear {approx}1.5 kpc region, as estimated from the nuclear 11.3 {mu}m PAH luminosities, but also in the host galaxy. We next use the ratios between the SFRs and BH accretion rates (BHAR) to study whether the SF activity and BH growth are contemporaneous in local LIRGs. On average, local LIRGs have SFR to BHAR ratios higher than those of optically selected Seyferts of similar active galactic nucleus (AGN) luminosities. However, the majority of the IR-bright galaxies in the revised-Shapley-Ames Seyfert sample behave like local LIRGs. Moreover, the AGN incidence tends to be higher in local LIRGs with the lowest SFRs. All of this suggests that in local LIRGs there is a distinct IR-bright star-forming phase taking place prior to the bulk of the current BH growth (i.e., AGN phase). The latter is reflected first as a composite and then as a Seyfert, and later as a non-LIRG optically identified Seyfert nucleus with moderate SF in its host galaxy.

  7. Tracking hole localization in K -shell and core-valence-excited acetylene photoionization via body-frame photoelectron angular distributions

    NASA Astrophysics Data System (ADS)

    Rescigno, T. N.; Trevisan, C. S.; McCurdy, C. W.

    2015-02-01

    Asymmetry in the molecular-frame photoelectron angular distributions from core-hole- or core-valence-excited polyatomic targets with symmetry-equivalent atoms can provide direct evidence for core-hole localization. Using acetylene as an example, we contrast the small asymmetry that can be seen in direct core-level ionization, due to the competition between two competing pathways to the continuum, with ionization from core-valence-excited HCCH, which offers the prospect of observing markedly greater asymmetry.

  8. Sky Localization of Complete Inspiral-Merger-Ringdown Signals for Nonspinning Black Hole Binaries with LISA

    NASA Technical Reports Server (NTRS)

    McWilliams, Sean T.; Lang, Ryan N.; Baker, John G.; Thorpe, James Ira

    2011-01-01

    We investigate the capability of LISA to measure the sky position of equal-mass, nonspinning black hole binaries, including for the first time the entire inspiral-merger-ringdown signal, the effect of the LISA orbits, and the complete three-channel LISA response. For an ensemble of systems near the peak of LISA's sensitivity band, with total rest mass of 2 x l0(exp 6) Stellar Mass at a redshift of z = 1 with random orientations and sky positions, we find median sky localization errors of approximately approx. 3 arcminutes. This is comparable to the field of view of powerful electromagnetic telescopes, such as the James Webb Space Telescope, that could be used to search for electromagnetic signals associated with merging black holes. We investigate the way in which parameter errors decrease with measurement time, focusing specifically on the additional information provided during the merger-ringdown segment of the signal. We find that this information improves all parameter estimates directly, rather than through diminishing correlations with any subset of well-determined parameters.

  9. Surface structure and hole localization in bismuth vanadate: A first principles study

    SciTech Connect

    Kweon, Kyoung E.; Hwang, Gyeong S.

    2013-09-23

    The monoclinic and tetragonal phases of bismuth vanadate (BiVO{sub 4}) have been found to exhibit significantly different photocatalytic activities for water splitting. To assess a possible surface effect on the phase-dependent behavior, we calculate and compare the geometries and electronic structures of the monoclinic and tetragonal BiVO{sub 4} (001) surfaces using hybrid density functional theory. The relaxed atomic configurations of these two surfaces are found to be nearly identical, while an excess hole shows a relatively stronger tendency to localize at the surface than the bulk in both phases. Possible factors for the phase-dependent photocatalytic activity of BiVO{sub 4} are discussed.

  10. REVERBERATION MAPPING MEASUREMENTS OF BLACK HOLE MASSES IN SIX LOCAL SEYFERT GALAXIES

    SciTech Connect

    Denney, K. D.; Peterson, B. M.; Pogge, R. W.; Atlee, D. W.; Bentz, M. C.; Bird, J. C.; Comins, M. L.; Dietrich, M.; Eastman, J. D.; Adair, A.; Au-Yong, K.; Chisholm, E.; Ewald, S.; Ferbey, S.; Jackson, K.; Brokofsky, D. J.; Gaskell, C. M.; Hedrick, C. H.; Doroshenko, V. T.

    2010-09-20

    We present the final results from a high sampling rate, multi-month, spectrophotometric reverberation mapping campaign undertaken to obtain either new or improved H{beta} reverberation lag measurements for several relatively low-luminosity active galactic nuclei (AGNs). We have reliably measured the time delay between variations in the continuum and H{beta} emission line in six local Seyfert 1 galaxies. These measurements are used to calculate the mass of the supermassive black hole at the center of each of these AGNs. We place our results in context to the most current calibration of the broad-line region (BLR) R{sub BLR}-L relationship, where our results remove outliers and reduce the scatter at the low-luminosity end of this relationship. We also present velocity-resolved H{beta} time-delay measurements for our complete sample, though the clearest velocity-resolved kinematic signatures have already been published.

  11. Effect of black holes in local dwarf spheroidal galaxies on gamma-ray constraints on dark matter annihilation

    NASA Astrophysics Data System (ADS)

    Gonzalez-Morales, Alma X.; Profumo, Stefano; Queiroz, Farinaldo S.

    2014-11-01

    Recent discoveries of optical signatures of black holes in dwarf galaxies indicates that low-mass galaxies can indeed host intermediate massive black holes. This motivates the assessment of the resulting effect on the host dark matter density profile, and the consequences for the constraints on the plane of the dark matter annihilation cross section versus mass, stemming from the nonobservation of gamma rays from local dwarf spheroidals with the Fermi Large Area Telescope. We compute the density profile using three different prescriptions for the black hole mass associated with a given spheroidal galaxy, and taking into account the cutoff to the density from dark matter pair-annihilation. We find that the limits on the dark matter annihilation rate from observations of individual dwarfs are enhanced by factors of a few up to 1 06 , depending on the specific galaxy, on the black hole mass prescription, and on the dark matter particle mass. We estimate limits from combined observations of a sample of 15 dwarfs, for a variety of assumptions on the dwarf black hole mass and on the dark matter density profile prior to adiabatic contraction. We find that if black holes are indeed present in local dwarf spheroidals, then, independent of assumptions, (i) the dark matter interpretation of the Galactic center gamma-ray excess would be conclusively ruled out, (ii) wino dark matter would be excluded up to masses of about 3 TeV, and (iii) vanilla thermal relic weakly interacting massive particles must be heavier than 100 GeV.

  12. The Local Black Hole Mass Function Derived from the MBH-Pitch Angle and the MBH-Sersic Index Relations

    NASA Astrophysics Data System (ADS)

    Mutlu Pakdil, Burcin; Seigar, Marc S.; Davis, Benjamin L.

    2016-01-01

    We determined the local supermassive black hole mass function (BHMF) for all galaxy types with complementing the local BHMF for spiral galaxies derived by Davis et al. (2014). We used the empirical relation between supermassive black hole mass and the Sersic index for early type (E/S0) galaxies from the same parent sample with Davis et al. (2014), which is selected from galaxies in the Carnegie-Irvine Galaxy Survey (CGS) which is a very complete sample of the nearby galaxies.The observational simplicity of our approach and direct measurements from the statistically tightest correlations with black hole mass, which are the Sersic index for E/S0 galaxies and pitch angle for spiral galaxies, make it straightforward to estimate an accurate local BHMF. Integrating over the best-fitting mass function, the local mass density of SMBHs from early- and late-type galaxies combined is ρ=3.61+3.80-1.75 x105 M⊙ Mpc-3. The errors are estimated from Monte Carlo simulations which include uncertainities in the emprical relations and measurement errors in both Sersic index and Pitch angle. Assuming supermassive black holes form via baryonic accretion, we find that 0.013+0.013-0.006 per cent of baryons are contained in SMBHs at the centers of galaxies in the local universe.

  13. Observational Signatures of High-Redshift Quasars and Local Relics of Black Hole Seeds

    NASA Astrophysics Data System (ADS)

    Reines, Amy E.; Comastri, Andrea

    2016-10-01

    Observational constraints on the birth and early evolution of massive black holes come from two extreme regimes. At high redshift, quasars signal the rapid growth of billion-solar-mass black holes and indicate that these objects began remarkably heavy and/or accreted mass at rates above the Eddington limit. At low redshift, the smallest nuclear black holes known are found in dwarf galaxies and provide the most concrete limits on the mass of black hole seeds. Here, we review current observational work in these fields that together are critical for our understanding of the origin of massive black holes in the Universe.

  14. Focused Impedance Method (FIM) and Pigeon Hole Imaging (PHI) for localized measurements - a review

    NASA Astrophysics Data System (ADS)

    Siddique-e Rabbani, K.

    2010-04-01

    This paper summarises up to date development in Focused Impedance Method (FIM) initiated by us. It basically involves taking the sum of two orthogonal tetra-polar impedance measurements around a common central region, giving a localized enhanced sensitivity. Although the basic idea requires 8 electrodes, versions with 6- and 4-electrodes were subsequently conceived and developed. The focusing effect has been verified in 2D and 3D phantoms and through numerical analysis. Dynamic stomach emptying, and ventilation of localized lung regions have been studied successfully suggesting further applications in monitoring of gastric acid secretion, artificial respiration, bladder emptying, etc. Multi-frequency FIM may help identify some diseases and disorders including certain cancers. FIM, being much simpler and having less number of electrodes, appears to have the potential to replace EIT for applications involving large and shallow organs. An enhancement of 6-electrode FIM led to Pigeon Hole Imaging (PHI) in a square matrix through backprojection in two orthogonal directions, good for localising of one or two well separated objects.

  15. Evidence for Black Hole Growth in Local Analogs to Lyman Break Galaxies

    NASA Technical Reports Server (NTRS)

    Jia, Jianjun; Ptak, Andrew; Heckman, Timothy M.; Overzier, Roderik A.; Hornschemeier, Ann; LaMassa, Stephanie M.

    2011-01-01

    We have used XMM-Newton to observe six Lyman break analogs (LBAs): members of the rare population of local galaxies that have properties that are very similar to distant Lyman break galaxies. Our six targets were specifically selected because they have optical emission-line properties that are intermediate between starbursts and Type 2 (obscured) active galactic nuclei (AGNs). Our new X-ray data provide an important diagnostic of the presence of an AGN. We find X-ray luminosities of order 10(sup 42) erg per second and ratios of X-ray to far-IR lummositles that are higher than values in pure starburst galaxies by factors ranging from approximately 3 to 30. This strongly suggests the presence of an AGN in at least some of the galaxies. The ratios of the luminosities of the hard (2-10 keV) X-ray to [O III] emission line are low by about an order of magnitude compared with Type 1 AGN, but are consistent with the broad range seen in Type 2 AGN. Either the AGN hard X-rays are significantly obscured or the [O III] emission is dominated by the starburst. We searched for an iron emission line at approximately 6.4 ke V, which is a key feature of obscured AGNs, but only detected emission at the approximately 2sigma level. Finally, we find that the ratios of the mid-infrared (24 micrometer) continuum to [O III]lambda 5007 luminosities in these LBAs are higher than the values for Type 2 AGN by an average of 0.8 dex. Combining all these clues, we conclude that an AGN is likely to be present, but that the bolometric luminosity is produced primarily by an intense starburst. If these black holes are radiating at the Eddington limit, their masses would lie in the range of 10(sup 5) - 10(sup 6) solar mass. These objects may offer ideal local laboratories to investigate the processes by which black holes grew in the early universe.

  16. Evidence for Black Hole Growth in Local Analogs to Lyman Break Galaxies

    NASA Technical Reports Server (NTRS)

    Jia, Jianjun; Ptak, Andrew; Heckman, Timothy M.; Overzier, Roderik A.; Hornschemeier, Ann; LaMassa, Stephanie M.

    2011-01-01

    We have used XMM-Newton to observe six Lyman break analogs (LBAs): members of the rare population of local galaxies that have properties that are very similar to distant Lyman break galaxies. Our six targets were specifically selected because they have optical emission-line properties that are intermediate between starbursts and Type 2 (obscured) active galactic nuclei (AGNs). Our new X-ray data provide an important diagnostic of the presence of an AGN. We find X-ray luminosities of order 10(sup 42) erg per second and ratios of X-ray to far-IR lummositles that are higher than values in pure starburst galaxies by factors ranging from approximately 3 to 30. This strongly suggests the presence of an AGN in at least some of the galaxies. The ratios of the luminosities of the hard (2-10 keV) X-ray to [O III] emission line are low by about an order of magnitude compared with Type 1 AGN, but are consistent with the broad range seen in Type 2 AGN. Either the AGN hard X-rays are significantly obscured or the [O III] emission is dominated by the starburst. We searched for an iron emission line at approximately 6.4 ke V, which is a key feature of obscured AGNs, but only detected emission at the approximately 2sigma level. Finally, we find that the ratios of the mid-infrared (24 micrometer) continuum to [O III]lambda 5007 luminosities in these LBAs are higher than the values for Type 2 AGN by an average of 0.8 dex. Combining all these clues, we conclude that an AGN is likely to be present, but that the bolometric luminosity is produced primarily by an intense starburst. If these black holes are radiating at the Eddington limit, their masses would lie in the range of 10(sup 5) - 10(sup 6) solar mass. These objects may offer ideal local laboratories to investigate the processes by which black holes grew in the early universe.

  17. Holes localized in nanostructures in an external magnetic field: g-factor and mixing of states

    SciTech Connect

    Semina, M. A.; Suris, R. A.

    2015-06-15

    The energy spectrum and wave functions of holes in the valence band in semiconductor nanosystems, including quantum wells, quantum wires, and quantum dots, in an external magnetic field are theoretically investigated. The dependence of Zeeman splitting of the hole ground state upon variation in the size-quantization parameters with regard to the complex structure of the valence band and magnetic field-induced mixing of hole states is traced. Analytical formulas for describing the Zeeman effect in the valence band in the limiting cases of a quantum disk, spherically symmetric quantum dot, and quantum wire are presented. It is demonstrated that the g-factor of a hole is extremely sensitive to the hole-state composition (heavy or light hole) and, consequently, to the geometry of the size-quantization potential.

  18. Broadband locally resonant band gaps in periodic beam structures with embedded acoustic black holes

    NASA Astrophysics Data System (ADS)

    Tang, Liling; Cheng, Li

    2017-05-01

    The Acoustic Black Hole (ABH) effect can be used to effectively reduce structural vibrations by trapping flexural waves in a thin-walled structure with a power-law thickness variation. In the present study, we used a wavelet-decomposed energy method to investigate an Euler-Bernoulli beam embedded with multiple ABHs. Broadband transmission attenuation bands at relatively low frequencies are observed in a beam containing only a few ABH elements. To explain the underlying phenomena, an infinite structure with periodic ABH elements is analyzed. Numerical results show that the periodic boundary conditions in terms of displacement and rotational slope of a unit cell, based on the finite model, are sufficient to describe the band structures, without requiring full treatment of the entire infinite structure. This provides an efficient and flexible means to predict, and eventually optimize, the band structure based on a single element. Meanwhile, the ABH-induced locally resonant band gaps coincide with the attenuation bands observed in the finite beams. Because of the unique ABH feature, the proposed beam requires only a small number of elements to obtain broad attenuation bands, which offers great potential for vibrational isolation applications and wave filter designs in beam structures.

  19. Opening Holes in the Blanket of Inhibition: Localized Lateral Disinhibition by VIP Interneurons

    PubMed Central

    Jackson, Jesse; Ayzenshtat, Inbal; Hamzehei Sichani, Azadeh; Manoocheri, Kasra; Kim, Samuel; Yuste, Rafael

    2016-01-01

    Inhibitory interneurons in the neocortex often connect in a promiscuous and extensive fashion, extending a “blanket of inhibition” on the circuit. This raises the problem of how can excitatory activity propagate in the midst of this widespread inhibition. One solution to this problem could be the vasoactive intestinal peptide (VIP) interneurons, which disinhibit other interneurons. To explore how VIP interneurons affect the local circuits, we use two-photon optogenetics to activate them individually in mouse visual cortex in vivo while measuring their output with two-photon calcium imaging. We find that VIP interneurons have narrow axons and inhibit nearby somatostatin interneurons, which themselves inhibit pyramidal cells. Moreover, via this lateral disinhibition, VIP cells in vivo make local and transient “holes” in the inhibitory blanket extended by SOM cells. VIP interneurons, themselves regulated by neuromodulators, may therefore enable selective patterns of activity to propagate through the cortex, by generating a “spotlight of attention”. SIGNIFICANCE STATEMENT Most inhibitory interneurons have axons restricted to a nearby area and target excitatory neighbors indiscriminately, raising the issue of how neuronal activity can propagate through cortical circuits. Vasoactive intestinal peptide-expressing interneurons (VIPs) disinhibit cortical pyramidal cells through inhibition of other inhibitory interneurons, and they have very focused, “narrow” axons. By optogenetically activating single VIPs in live mice while recording the activity of nearby neurons, we find that VIPs break open a hole in blanket inhibition with an effective range of ∼120 μm in lateral cortical space where excitatory activity can propagate. PMID:27013676

  20. Localization of a hole on an adenine-thymine radical cation in B-form DNA in water.

    PubMed

    Kravec, S M; Kinz-Thompson, C D; Conwell, E M

    2011-05-19

    A quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulation has been carried out using CP2K for a hole introduced into a B-form DNA molecule consisting of 10 adenine-thymine (A/T) pairs in water. At the beginning of the simulation, the hole wave function is extended over several adenines. Within 20-25 fs, the hole wave function contracts so that it is localized on a single A. At 300 K, it stays on this A for the length of the simulation, several hundred fs, with the wave function little changed. In a range of temperatures below 300 K, proton transfer from A to T is seen to take place within the A/T occupied by the hole; it is completed by ∼40 fs after the contraction. We show that the contraction is due to polarization of the water by the hole. This polarization also plays a role in the proton transfer. Implications for transport are considered.

  1. Energy Levels of Hydrogen and Deuterium

    National Institute of Standards and Technology Data Gateway

    SRD 142 Energy Levels of Hydrogen and Deuterium (Web, free access)   This database provides theoretical values of energy levels of hydrogen and deuterium for principle quantum numbers n = 1 to 200 and all allowed orbital angular momenta l and total angular momenta j. The values are based on current knowledge of the revelant theoretical contributions including relativistic, quantum electrodynamic, recoil, and nuclear size effects.

  2. Influence of etch process on contact hole local critical dimension uniformity in extreme-ultraviolet lithography

    NASA Astrophysics Data System (ADS)

    Lorusso, Gian F.; Mao, Ming; Reijnen, Liesbeth; Viatkina, Katja; Knops, Roel; Rispens, Gijsbert; Fliervoet, Timon

    2015-03-01

    Contact Hole (CH) Local Critical Dimension Uniformity (LCDU) has a direct impact on device performance. As a consequence, being able to understand and quantifying the different LCDU contributors and the way they evolve during the various process steps is critical. In this work the impact of etch process on LCDU for different resists and stacks is investigated on ASML NXE:3100 and NXE:3300. LCDU is decomposed into shot noise, mask, and metrology components. The design of the experiment is optimized to minimize the decomposition error. CD and LCDU are monitored and found to be stable. We observed that the net effect of the etch process is to improve LCDU, although the final LCDU is both stack- and resist-dependent. Different resists demonstrate the same LCDU improvement, so that the LCDU after etch will depend on the initial resist performance. Using a stack different from the one used to set up the etch process can undermine the LCDU improvement. The impact of the various etch steps is investigated in order to identify the physical mechanisms responsible for the LCDU improvement through etch. Both top-down and cross section Scanning Electron Microscopy (SEM) are used. The step-by-step analysis of the etch process showed that the main LCDU improvement is achieved during oxide etch, while the other process steps are either ineffective or detrimental in terms of LCDU. The main cause of the LCDU improvement is then attributed to the polymerization of the CH surface happening during the oxide etch. Finally, the LCDU improvement caused by the etch process is investigated as a function of the initial LCDU after litho in a relatively broad range (2-15nm). The ratio between LCDU after litho over LCDU after etch is investigated as a function of the initial LCDU after litho for two different resists. The results indicate that the impact of etch on LCDU is characterized by a single curve, specific to the etch process in use and independent of the resist type. In addition, we

  3. Unambiguous observation of F-atom core-hole localization in CF4 through body-frame photoelectron angular distributions

    NASA Astrophysics Data System (ADS)

    McCurdy, C. W.; Rescigno, T. N.; Trevisan, C. S.; Lucchese, R. R.; Gaire, B.; Menssen, A.; Schöffler, M. S.; Gatton, A.; Neff, J.; Stammer, P. M.; Rist, J.; Eckart, S.; Berry, B.; Severt, T.; Sartor, J.; Moradmand, A.; Jahnke, T.; Landers, A. L.; Williams, J. B.; Ben-Itzhak, I.; Dörner, R.; Belkacem, A.; Weber, Th.

    2017-01-01

    A dramatic symmetry breaking in K -shell photoionization of the CF4 molecule in which a core-hole vacancy is created in one of four equivalent fluorine atoms is displayed in the molecular frame angular distribution of the photoelectrons. Observing the photoejected electron in coincidence with an F+ atomic ion after Auger decay is shown to select the dissociation path where the core hole was localized almost exclusively on that atom. A combination of measurements and ab initio calculations of the photoelectron angular distribution in the frame of the recoiling CF3+ and F+ atoms elucidates the underlying physics that derives from the Ne-like valence structure of the F(1 s-1 ) core-excited atom.

  4. Optical Spin Noise of a Single Hole Spin Localized in an (InGa)As Quantum Dot

    NASA Astrophysics Data System (ADS)

    Dahbashi, Ramin; Hübner, Jens; Berski, Fabian; Pierz, Klaus; Oestreich, Michael

    2014-04-01

    We advance spin noise spectroscopy to the ultimate limit of single spin detection. This technique enables the measurement of the spin dynamic of a single heavy hole localized in a flat (InGa)As quantum dot. Magnetic field and light intensity dependent studies reveal even at low magnetic fields a strong magnetic field dependence of the longitudinal heavy hole spin relaxation time with an extremely long T1 of ≥180 μs at 31 mT and 5 K. The wavelength dependence of the spin noise power discloses for finite light intensities an inhomogeneous single quantum dot spin noise spectrum which is explained by charge fluctuations in the direct neighborhood of the quantum dot. The charge fluctuations are corroborated by the distinct intensity dependence of the effective spin relaxation rate.

  5. Unambiguous observation of F-atom core-hole localization in CF4 through body-frame photoelectron angular distributions

    DOE PAGES

    McCurdy, C. W.; Rescigno, T. N.; Trevisan, C. S.; ...

    2017-01-17

    A dramatic symmetry breaking in K-shell photoionization of the CF4 molecule in which a core-hole vacancy is created in one of four equivalent fluorine atoms is displayed in the molecular frame angular distribution of the photoelectrons. In observing the photoejected electron in coincidence with an F+ atomic ion after Auger decay we see how selecting the dissociation path where the core hole was localized was almost exclusively on that atom. A combination of measurements and ab initio calculations of the photoelectron angular distribution in the frame of the recoiling CF3+ and F+ atoms elucidates the underlying physics that derives frommore » the Ne-like valence structure of the F(1s-1) core-excited atom.« less

  6. Suppressing recombination in polymer photovoltaic devices via energy-level cascades.

    PubMed

    Tan, Zhi-Kuang; Johnson, Kerr; Vaynzof, Yana; Bakulin, Artem A; Chua, Lay-Lay; Ho, Peter K H; Friend, Richard H

    2013-08-14

    An energy cascading structure is designed in a polymer photovoltaic device to suppress recombination and improve quantum yields. By the insertion of a thin polymer interlayer with intermediate energy levels, electrons and holes can effectively shuttle away from each other while being spatially separated from recombination. An increase in open-circuit voltage and short-circuit current are observed in modified devices.

  7. Vibrational energy levels of CH5+

    NASA Astrophysics Data System (ADS)

    Wang, Xiao-Gang; Carrington, Tucker

    2008-12-01

    We present a parallelized contracted basis-iterative method for calculating numerically exact vibrational energy levels of CH5+ (a 12-dimensional calculation). We use Radau polyspherical coordinates and basis functions that are products of eigenfunctions of bend and stretch Hamiltonians. The bend eigenfunctions are computed in a nondirect product basis with more than 200×106 functions and the stretch functions are computed in a product potential optimized discrete variable basis. The basis functions have amplitude in all of the 120 equivalent minima. Many low-lying levels are well converged. We find that the energy level pattern is determined in part by the curvature and width of the valley connecting the minima and in part by the slope of the walls of this valley but does not depend on the height or shape of the barriers separating the minima.

  8. Energy level control: toward an efficient hot electron transport

    NASA Astrophysics Data System (ADS)

    Jin, Xiao; Li, Qinghua; Li, Yue; Chen, Zihan; Wei, Tai-Huei; He, Xingdao; Sun, Weifu

    2014-08-01

    Highly efficient hot electron transport represents one of the most important properties required for applications in photovoltaic devices. Whereas the fabrication of efficient hot electron capture and lost-cost devices remains a technological challenge, regulating the energy level of acceptor-donor system through the incorporation of foreign ions using the solution-processed technique is one of the most promising strategies to overcome this obstacle. Here we present a versatile acceptor-donor system by incorporating MoO3:Eu nanophosphors, which reduces both the `excess' energy offset between the conduction band of acceptor and the lowest unoccupied molecular orbital of donor, and that between the valence band and highest occupied molecular orbital. Strikingly, the hot electron transfer time has been shortened. This work demonstrates that suitable energy level alignment can be tuned to gain the higher hot electron/hole transport efficiency in a simple approach without the need for complicated architectures. This work builds up the foundation of engineering building blocks for third-generation solar cells.

  9. Energy level control: toward an efficient hot electron transport

    PubMed Central

    Jin, Xiao; Li, Qinghua; Li, Yue; Chen, Zihan; Wei, Tai-Huei; He, Xingdao; Sun, Weifu

    2014-01-01

    Highly efficient hot electron transport represents one of the most important properties required for applications in photovoltaic devices. Whereas the fabrication of efficient hot electron capture and lost-cost devices remains a technological challenge, regulating the energy level of acceptor-donor system through the incorporation of foreign ions using the solution-processed technique is one of the most promising strategies to overcome this obstacle. Here we present a versatile acceptor-donor system by incorporating MoO3:Eu nanophosphors, which reduces both the ‘excess' energy offset between the conduction band of acceptor and the lowest unoccupied molecular orbital of donor, and that between the valence band and highest occupied molecular orbital. Strikingly, the hot electron transfer time has been shortened. This work demonstrates that suitable energy level alignment can be tuned to gain the higher hot electron/hole transport efficiency in a simple approach without the need for complicated architectures. This work builds up the foundation of engineering building blocks for third-generation solar cells. PMID:25099864

  10. Energy level control: toward an efficient hot electron transport.

    PubMed

    Jin, Xiao; Li, Qinghua; Li, Yue; Chen, Zihan; Wei, Tai-Huei; He, Xingdao; Sun, Weifu

    2014-08-07

    Highly efficient hot electron transport represents one of the most important properties required for applications in photovoltaic devices. Whereas the fabrication of efficient hot electron capture and lost-cost devices remains a technological challenge, regulating the energy level of acceptor-donor system through the incorporation of foreign ions using the solution-processed technique is one of the most promising strategies to overcome this obstacle. Here we present a versatile acceptor-donor system by incorporating MoO3:Eu nanophosphors, which reduces both the 'excess' energy offset between the conduction band of acceptor and the lowest unoccupied molecular orbital of donor, and that between the valence band and highest occupied molecular orbital. Strikingly, the hot electron transfer time has been shortened. This work demonstrates that suitable energy level alignment can be tuned to gain the higher hot electron/hole transport efficiency in a simple approach without the need for complicated architectures. This work builds up the foundation of engineering building blocks for third-generation solar cells.

  11. Communication: Hole localization in Al-doped quartz SiO2 within ab initio hybrid-functional DFT

    NASA Astrophysics Data System (ADS)

    Gerosa, Matteo; Di Valentin, Cristiana; Bottani, Carlo Enrico; Onida, Giovanni; Pacchioni, Gianfranco

    2015-09-01

    We investigate the long-standing problem of hole localization at the Al impurity in quartz SiO2, using a relatively recent DFT hybrid-functional method in which the exchange fraction is obtained ab initio, based on an analogy with the static many-body COHSEX approximation to the electron self-energy. As the amount of the admixed exact exchange in hybrid functionals has been shown to be determinant for properly capturing the hole localization, this problem constitutes a prototypical benchmark for the accuracy of the method, allowing one to assess to what extent self-interaction effects are avoided. We obtain good results in terms of description of the charge localization and structural distortion around the Al center, improving with respect to the more popular B3LYP hybrid-functional approach. We also discuss the accuracy of computed hyperfine parameters, by comparison with previous calculations based on other self-interaction-free methods, as well as experimental values. We discuss and rationalize the limitations of our approach in computing defect-related excitation energies in low-dielectric-constant insulators.

  12. Communication: Hole localization in Al-doped quartz SiO{sub 2} within ab initio hybrid-functional DFT

    SciTech Connect

    Gerosa, Matteo; Bottani, Carlo Enrico

    2015-09-21

    We investigate the long-standing problem of hole localization at the Al impurity in quartz SiO{sub 2}, using a relatively recent DFT hybrid-functional method in which the exchange fraction is obtained ab initio, based on an analogy with the static many-body COHSEX approximation to the electron self-energy. As the amount of the admixed exact exchange in hybrid functionals has been shown to be determinant for properly capturing the hole localization, this problem constitutes a prototypical benchmark for the accuracy of the method, allowing one to assess to what extent self-interaction effects are avoided. We obtain good results in terms of description of the charge localization and structural distortion around the Al center, improving with respect to the more popular B3LYP hybrid-functional approach. We also discuss the accuracy of computed hyperfine parameters, by comparison with previous calculations based on other self-interaction-free methods, as well as experimental values. We discuss and rationalize the limitations of our approach in computing defect-related excitation energies in low-dielectric-constant insulators.

  13. The detection system of local mechanical strength of material based on double-hole micro-shear

    NASA Astrophysics Data System (ADS)

    Ding, Shoucheng; Li, Wenhui; Yang, Shizhou; Yuan, Guici

    2008-12-01

    The paper introduces a detection system of local mechanical strength of material. The principle of the system is based on the double-hole micro-shear test method. The core of detection system is MSP430F149 SCM. The working principle of the system is that the shear tool is driven by the stepper motor; the data is gathered by the load sensor and the displacement sensor; after it is processed by A/D converter of MSP430F149 SCM, we can gain the load and the displacement curve and get the maximum point of yield strength; according to the load value, the system determines the material mechanical intensity; Thus, a real-time detection system is set up. Experimental results show that detecting system based on double-hole micro-shear is fast, easy, accurate and intuitive to detect mechanical strength of the local material. So it can be widely applied to detect the local mechanical strength of kinds of mining and load bearing equipment via setting reasonable load value, which can avoid the accident of overload or super strength effectively.

  14. Phase structure of the Born-Infeld-anti-de Sitter black holes probed by non-local observables

    NASA Astrophysics Data System (ADS)

    Zeng, Xiao-Xiong; Liu, Xian-Ming; Li, Li-Fang

    2016-11-01

    With the non-local observables such as two point correlation function and holographic entanglement entropy, we probe the phase structure of the Born-Infeld-anti-de Sitter black holes. For the case bQ>0.5, where b is the Born-Infeld parameter and Q is the charge of the black hole, the phase structure is found to be similar to that of the Van der Waals phase transition, namely the black hole undergoes a first order phase transition and a second order phase transition before it reaches a stable phase. While for the case bQ<0.5, a new phase branch emerges besides the Van der Waals phase transition. For the first order phase transition, the equal area law is checked, and for the second order phase transition, the critical exponent of the heat capacity is obtained. All these results are found to be the same as that observed in the entropy-temperature plane.

  15. Ultrasonic inspection of multiple-rivet-hole lap joint cracks using global analysis with local finite element approach

    NASA Astrophysics Data System (ADS)

    Bhuiyan, Yeasin; Shen, Yanfeng; Giurgiutiu, Victor

    2016-04-01

    Ultrasonic inspection of multiple-rivet-hole lap joint cracks has been introduced using combined analytical and finite element approach (CAFA). Finite element analyses have been performed on local damage area in spite of the whole large structure and transfer function based analytical model is used to analyze the full structure. "Scattered cube" of complex valued wave damage interaction coefficient (WDIC) that involves scattering and mode conversion of Lamb waves around the damage is used as coupling between analytical and FEM simulation. WDIC is captured for multiple angles of incident Lamb mode (S0 and A0) over the frequency domain to analyze the cracks of multiple-rivet-hole lap joint. By analyzing the scattered cube of WDICs over the frequency domain and azimuthal angles the optimum parameters can be determined for each angle of incidence and the most sensitive signals are obtained using WaveformRevealer2D (WFR2D). These sensitive signals confirm the detection of the butterfly cracks in rivet holes through the installment of the transmitting and sensing PWASs in the proper locations and selecting the right frequency of excitation.

  16. Mapping Energy Levels for Organic Heterojunctions.

    PubMed

    Li, Yiying; Li, Peicheng; Lu, Zheng-Hong

    2017-06-01

    An organic semiconductor thin film is a solid-state matter comprising one or more molecules. For applications in electronics and photonics, several distinct functional organic thin films are stacked together to create a variety of devices such as organic light-emitting diodes and organic solar cells. The energy levels at these thin-film junctions dictate various electronic processes such as the charge transport across these junctions, the exciton dissociation rates at donor-acceptor molecular interfaces, and the charge trapping during exciton formation in a host-dopant system. These electronic processes are vital to a device's performance and functionality. To uncover a general scientific principle in governing the interface energy levels, highest occupied molecular orbitals, and vacuum level dipoles, herein a comprehensive experimental research is conducted on several dozens of organic-organic heterojunctions representative of various device applications. It is found that the experimental data map on interface energy levels, after correcting variables such as molecular orientation-dependent ionization energies, consists of three distinct regions depending on interface fundamental physical parameters such as Fermi energy, work function, highest occupied molecular orbitals, and lowest unoccupied molecular orbitals. This general energy map provides a master guide in selection of new materials for fabricating future generations of organic semiconductor devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Importance of local band effects for ferromagnetism in hole-doped La2CuO4 cuprate superconductors.

    PubMed

    Barbiellini, B; Jarlborg, T

    2008-10-10

    Band calculations for supercells of La((2-x))Ba(x)CuO(4) show that the rigid band model for doping is less adequate than what is commonly assumed. In particular, weak ferromagnetism can appear locally around clusters of high Ba concentration. The clustering is important at large dilution, and averaged models for magnetism, such as the virtual crystal approximation, are unable to stabilize magnetic moments. These results give support to the idea that weak ferromagnetism can be the cause of the destruction of superconductivity at high hole doping.

  18. Vertical Hole Transport and Carrier Localization in InAs /InAs1 -xSbx Type-II Superlattice Heterojunction Bipolar Transistors

    NASA Astrophysics Data System (ADS)

    Olson, B. V.; Klem, J. F.; Kadlec, E. A.; Kim, J. K.; Goldflam, M. D.; Hawkins, S. D.; Tauke-Pedretti, A.; Coon, W. T.; Fortune, T. R.; Shaner, E. A.; Flatté, M. E.

    2017-02-01

    Heterojunction bipolar transistors are used to measure vertical hole transport in narrow-band-gap InAs /InAs1 -xSbx type-II superlattices (T2SLs). Vertical hole mobilities (μh) are reported and found to decrease rapidly from 360 cm2/V s at 120 K to approximately 2 cm2/V s at 30 K, providing evidence that holes are confined to localized states near the T2SL valence-miniband edge at low temperatures. Four distinct transport regimes are identified: (1) pure miniband transport, (2) miniband transport degraded by temporary capture of holes in localized states, (3) hopping transport between localized states in a mobility edge, and (4) hopping transport through defect states near the T2SL valence-miniband edge. Region (2) is found to have a thermal activation energy of ɛ2=36 meV corresponding to the energy range of a mobility edge. Region (3) is found to have a thermal activation energy of ɛ3=16 meV corresponding to the hopping transport activation energy. This description of vertical hole transport is analogous to electronic transport observed in disordered amorphous semiconductors displaying Anderson localization. For the T2SL, we postulate that localized states are created by disorder in the group-V alloy of the InAs1 -xSbx hole well causing fluctuations in the T2SL valence-band energy.

  19. Thionin in a cyclodextrin nanocavity: Measuring local compressibilities by pressure tuning hole burning spectroscopy

    NASA Astrophysics Data System (ADS)

    Hecht, Christoph; Hermann, Peter; Friedrich, Josef; Chang, Cheng-Chung; Chang, Ta-Chau

    2005-09-01

    We present pressure tuning hole burning experiments on thionin with α-cyclodextrin (α-CD) and β-cyclodextrin (β-CD) in a glycerol/water glass. The low temperature absorption spectra do not show the formation of a caging complex. The pressure tuning data, however, show that the compressibility of the sample with β-CD, where the formation of an inclusion complex is not restricted due to geometrical reasons increases as compared to the other samples. This is just the opposite of what one would expect. This increase is interpreted in terms of a reduced solvent density around the chromophore due to the hydrophobic effect.

  20. X-RAY CONSTRAINTS ON THE LOCAL SUPERMASSIVE BLACK HOLE OCCUPATION FRACTION

    SciTech Connect

    Miller, Brendan P.; Gallo, Elena; Baldassare, Vivienne; Greene, Jenny E.; Kelly, Brandon C.; Treu, Tommaso; Woo, Jong-Hak

    2015-01-20

    Distinct seed formation mechanisms are imprinted upon the fraction of dwarf galaxies currently containing a central supermassive black hole. Seeding by Population III remnants is expected to produce a higher occupation fraction than is generated with direct gas collapse precursors. Chandra observations of nearby early-type galaxies can directly detect even low-level supermassive black hole activity, and the active fraction immediately provides a firm lower limit to the occupation fraction. Here, we use the volume-limited AMUSE surveys of ∼200 optically selected early-type galaxies to characterize simultaneously, for the first time, the occupation fraction and the scaling of L {sub X} with M {sub star}, accounting for intrinsic scatter, measurement uncertainties, and X-ray limits. For early-type galaxies with M {sub star} < 10{sup 10} M {sub ☉}, we obtain a lower limit to the occupation fraction of >20% (at 95% confidence), but full occupation cannot be excluded. The preferred dependence of log L {sub X} upon log M {sub star} has a slope of ∼0.7-0.8, consistent with the ''downsizing'' trend previously identified from the AMUSE data set, and a uniform Eddington efficiency is disfavored at ∼2σ. We provide guidelines for the future precision with which these parameters may be refined with larger or more sensitive samples.

  1. Degree of initial hole localization/delocalization in ionized water clusters.

    PubMed

    Pieniazek, Piotr A; Sundstrom, Eric J; Bradforth, Stephen E; Krylov, Anna I

    2009-04-23

    The electronic structure of ionized bulk liquid water presents a number of theoretical challenges. Not the least of these is the realization that the detailed geometry of the hydrogen bonding network is expected to have a strong effect on the electronic couplings between water molecules and thus the degree of delocalization of the initially ionized system. This problem is approached from a cluster perspective where a high-level coupled cluster description of the electronic structure is still possible. Building on the work and methodology developed for the water dimer cation [J. Phys. Chem. A 2008, 112, 6159], the character and spectrum of electronic states of the water hole and their evolution from the dimer into higher clusters is presented. As the time evolution of the initially formed hole can in principle be followed by the system's transient absorption spectrum, the state spacings and transition strengths are computed. An analysis involving Dyson orbitals is applied and shows a partially delocalized nature of states. The issue of conformation disorder in the hydrogen bonding geometry is addressed for the water dimer cation.

  2. X-Ray Constraints on the Local Supermassive Black Hole Occupation Fraction

    NASA Astrophysics Data System (ADS)

    Miller, Brendan P.; Gallo, Elena; Greene, Jenny E.; Kelly, Brandon C.; Treu, Tommaso; Woo, Jong-Hak; Baldassare, Vivienne

    2015-01-01

    Distinct seed formation mechanisms are imprinted upon the fraction of dwarf galaxies currently containing a central supermassive black hole. Seeding by Population III remnants is expected to produce a higher occupation fraction than is generated with direct gas collapse precursors. Chandra observations of nearby early-type galaxies can directly detect even low-level supermassive black hole activity, and the active fraction immediately provides a firm lower limit to the occupation fraction. Here, we use the volume-limited AMUSE surveys of ~200 optically selected early-type galaxies to characterize simultaneously, for the first time, the occupation fraction and the scaling of L X with M star, accounting for intrinsic scatter, measurement uncertainties, and X-ray limits. For early-type galaxies with M star < 1010 M ⊙, we obtain a lower limit to the occupation fraction of >20% (at 95% confidence), but full occupation cannot be excluded. The preferred dependence of log L X upon log M star has a slope of ~0.7-0.8, consistent with the "downsizing" trend previously identified from the AMUSE data set, and a uniform Eddington efficiency is disfavored at ~2σ. We provide guidelines for the future precision with which these parameters may be refined with larger or more sensitive samples.

  3. Energy-level alignment at organic heterointerfaces

    PubMed Central

    Oehzelt, Martin; Akaike, Kouki; Koch, Norbert; Heimel, Georg

    2015-01-01

    Today’s champion organic (opto-)electronic devices comprise an ever-increasing number of different organic-semiconductor layers. The functionality of these complex heterostructures largely derives from the relative alignment of the frontier molecular-orbital energies in each layer with respect to those in all others. Despite the technological relevance of the energy-level alignment at organic heterointerfaces, and despite continued scientific interest, a reliable model that can quantitatively predict the full range of phenomena observed at such interfaces is notably absent. We identify the limitations of previous attempts to formulate such a model and highlight inconsistencies in the interpretation of the experimental data they were based on. We then develop a theoretical framework, which we demonstrate to accurately reproduce experiment. Applying this theory, a comprehensive overview of all possible energy-level alignment scenarios that can be encountered at organic heterojunctions is finally given. These results will help focus future efforts on developing functional organic interfaces for superior device performance. PMID:26702447

  4. Local free-fall temperature of Gibbons-Maeda-Garfinkle-Horowitz-Strominger black holes

    NASA Astrophysics Data System (ADS)

    Kim, Yong-Wan; Choi, Jaedong; Park, Young-Jai

    2014-02-01

    We obtain a (5+1)-dimensional global flat embedding of the Gibbons-Maeda-Garfinkle-Horowitz-Strominger spacetime in the Einstein frame and a (5+2)-dimensional global flat embedding in the string frame. We show that the local free-fall temperatures for freely falling observers in each frame are finite at the event horizons, while the local temperatures for fiducial observers are divergent. We also observe that the local free-fall temperatures differ between the two frames.

  5. Evaporation Spectrum of Black Holes from a Local Quantum Gravity Perspective

    NASA Astrophysics Data System (ADS)

    Barrau, Aurélien

    2016-12-01

    We revisit the hypothesis of a possible line structure in the Hawking evaporation spectrum of black holes. Because of nonperturbative quantum gravity effects, this would take place arbitrarily far away from the Planck mass. We show, based on a speculative but consistent hypothesis, that this naive prediction might in fact hold in the specific context of loop quantum gravity. A small departure from the ideal case is expected for some low-spin transitions and could allow us to distinguish several quantum gravity models. We also show that the effect is not washed out by the dynamics of the process, by the existence of a mass spectrum up to a given width, or by the secondary component induced by the decay of neutral pions emitted during the time-integrated evaporation.

  6. Evaporation Spectrum of Black Holes from a Local Quantum Gravity Perspective.

    PubMed

    Barrau, Aurélien

    2016-12-30

    We revisit the hypothesis of a possible line structure in the Hawking evaporation spectrum of black holes. Because of nonperturbative quantum gravity effects, this would take place arbitrarily far away from the Planck mass. We show, based on a speculative but consistent hypothesis, that this naive prediction might in fact hold in the specific context of loop quantum gravity. A small departure from the ideal case is expected for some low-spin transitions and could allow us to distinguish several quantum gravity models. We also show that the effect is not washed out by the dynamics of the process, by the existence of a mass spectrum up to a given width, or by the secondary component induced by the decay of neutral pions emitted during the time-integrated evaporation.

  7. Nonequivalent lanthanide defects: Energy level modeling

    NASA Astrophysics Data System (ADS)

    Joos, Jonas J.; Poelman, Dirk; Smet, Philippe F.

    2016-11-01

    Empirical charge-state transition level schemes are popular tools to model the properties of lanthanide-doped materials and their construction has become standard practice. Typically, it is implicitly assumed that all lanthanide ions form isostructural defects. However, in practice, multiple nonequivalent defects related to the same lanthanide can occur or different lanthanides can even incorporate in different ways. The consequences of these complications on the impurity energy levels are discussed in this article. It seems that small structural differences around the lanthanide dopant can give rise to important spectral differences in its emission. These are not always clearly reproduced by the charge-state transition level schemes. Improvements to the existing procedure are suggested and applied to the lanthanide ions in the well-studied host crystals SrAl2O4, Sr2Si5N8 and SrGa2S4.

  8. Localization of CO2 Leakage from a Circular Hole on a Flat-Surface Structure Using a Circular Acoustic Emission Sensor Array

    PubMed Central

    Cui, Xiwang; Yan, Yong; Guo, Miao; Han, Xiaojuan; Hu, Yonghui

    2016-01-01

    Leak localization is essential for the safety and maintenance of storage vessels. This study proposes a novel circular acoustic emission sensor array to realize the continuous CO2 leak localization from a circular hole on the surface of a large storage vessel in a carbon capture and storage system. Advantages of the proposed array are analyzed and compared with the common sparse arrays. Experiments were carried out on a laboratory-scale stainless steel plate and leak signals were obtained from a circular hole in the center of this flat-surface structure. In order to reduce the influence of the ambient noise and dispersion of the acoustic wave on the localization accuracy, ensemble empirical mode decomposition is deployed to extract the useful leak signal. The time differences between the signals from the adjacent sensors in the array are calculated through correlation signal processing before estimating the corresponding distance differences between the sensors. A hyperbolic positioning algorithm is used to identify the location of the circular leak hole. Results show that the circular sensor array has very good directivity toward the circular leak hole. Furthermore, an optimized method is proposed by changing the position of the circular sensor array on the flat-surface structure or adding another circular sensor array to identify the direction of the circular leak hole. Experiential results obtained on a 100 cm × 100 cm stainless steel plate demonstrate that the full-scale error in the leak localization is within 0.6%. PMID:27869765

  9. Localization of CO₂ Leakage from a Circular Hole on a Flat-Surface Structure Using a Circular Acoustic Emission Sensor Array.

    PubMed

    Cui, Xiwang; Yan, Yong; Guo, Miao; Han, Xiaojuan; Hu, Yonghui

    2016-11-19

    Leak localization is essential for the safety and maintenance of storage vessels. This study proposes a novel circular acoustic emission sensor array to realize the continuous CO₂ leak localization from a circular hole on the surface of a large storage vessel in a carbon capture and storage system. Advantages of the proposed array are analyzed and compared with the common sparse arrays. Experiments were carried out on a laboratory-scale stainless steel plate and leak signals were obtained from a circular hole in the center of this flat-surface structure. In order to reduce the influence of the ambient noise and dispersion of the acoustic wave on the localization accuracy, ensemble empirical mode decomposition is deployed to extract the useful leak signal. The time differences between the signals from the adjacent sensors in the array are calculated through correlation signal processing before estimating the corresponding distance differences between the sensors. A hyperbolic positioning algorithm is used to identify the location of the circular leak hole. Results show that the circular sensor array has very good directivity toward the circular leak hole. Furthermore, an optimized method is proposed by changing the position of the circular sensor array on the flat-surface structure or adding another circular sensor array to identify the direction of the circular leak hole. Experiential results obtained on a 100 cm × 100 cm stainless steel plate demonstrate that the full-scale error in the leak localization is within 0.6%.

  10. Proof of the local mass-angular momenta inequality for U{(1)}^{2} invariant black holes

    NASA Astrophysics Data System (ADS)

    Alaee, Aghil; Kunduri, Hari K.

    2015-08-01

    We consider initial data for extreme vacuum asymptotically flat black holes with {{R}}× U{(1)}2 symmetry. Such geometries are critical points of a mass functional defined for a wide class of asymptotically flat, ‘(t-{φ }i)’ symmetric maximal initial data for the vacuum Einstein equations. We prove that the above extreme geometries are local minima of mass among nearby initial data (with the same interval structure) with fixed angular momenta. Thus the ADM mass of nearby data m≥slant f({J}1,{J}2) for some function f depending on the interval structure. The proof requires that the initial data of the critical points satisfy certain conditions that are satisfied by the extreme Myers-Perry and extreme black ring data.

  11. Strong 1D localization and highly anisotropic electron-hole masses in heavy-halogen functionalized graphenes.

    PubMed

    Marsoner Steinkasserer, Lukas Eugen; Zarantonello, Alessandra; Paulus, Beate

    2016-09-14

    While halogenation of graphene presents a fascinating avenue to the construction of a chemically and physically diverse class of systems, their application in photovoltaics has been hindered by often prohibitively large optical gaps. Herein we study the effects of partial bromination and chlorination on the structure and optoelectronic properties of both graphane and fluorographene. We find brominated and chlorinated fluorographene derivatives to be as stable as graphane with a detailed investigation of the systems band structure revealing significant 1D localization of the charge carriers as well as strongly electron-hole asymmetric effective masses. Lastly using G0W0 and BSE, we investigate the optical adsorption spectra of the aforementioned materials whose first adsorption peak is shown to lie close to the optimal peak position for photovoltaic applications (≈1.5 eV).

  12. Quasi-local measurements and orientation in black-hole fields

    NASA Astrophysics Data System (ADS)

    Semerák, Oldrich; de Felice, Fernando

    1997-08-01

    An observer travelling in the Kerr - Newman field can deduce the parameters of the host spacetime and those of his orbit from quasi-local measurements only. A way to achieve this result is first to set oneself into the orbit of an equatorial canonical (Carter) observer, and then measure (i) the electric and magnetic fields, (ii) the linear velocities of the equatorial circular geodesics at a given radius (and possibly also those of geodesics which are purely latitudinal locally), (iii) one's thrust, (iv) the angular frequency of the `Pharaoh's fan' and (v) the angular velocity of precession of comoving gyroscopes. We show that the local experiments which are necessary to acquire all the desired information can be performed in a general Kerr - Newman background and also in the special cases of Kerr, Reissner - Nordström and Schwarzschild spacetimes. We point out a close connection between the behaviour of one of the observer's devices - the `Pharaoh's fan' - and the Wilkins effect.

  13. Impact of Oxygen Vacancy on Energy-Level Alignment at MoOx/Organic Interfaces

    NASA Astrophysics Data System (ADS)

    Zhang, Zheng; Xiao, Yan; Wei, Huai-Xin; Ma, Guo-Fu; Duhm, Steffen; Li, Yan-Qing; Tang, Jian-Xin

    2013-09-01

    Oxygen vacancies in MoOx play an essential role in interface energetics for charge injection and transport in organic devices. The influence of oxygen vacancy on energy-level alignment at the interface between MoOx and organic hole-transport layers is studied via photoemission spectroscopy. The degree of oxygen vacancies in MoOx is controlled by thermal annealing, which results in the partial reduction of Mo cations and a decrease in their work function. The hole-injection barrier at MoOx/organic interfaces increases as a consequence of the increase in oxygen deficiency.

  14. RELATIONS BETWEEN CENTRAL BLACK HOLE MASS AND TOTAL GALAXY STELLAR MASS IN THE LOCAL UNIVERSE

    SciTech Connect

    Reines, Amy E.; Volonteri, Marta

    2015-11-10

    Scaling relations between central black hole (BH) mass and host galaxy properties are of fundamental importance to studies of BH and galaxy evolution throughout cosmic time. Here we investigate the relationship between BH mass and host galaxy total stellar mass using a sample of 262 broad-line active galactic nuclei (AGNs) in the nearby universe (z < 0.055), as well as 79 galaxies with dynamical BH masses. The vast majority of our AGN sample is constructed using Sloan Digital Sky Survey spectroscopy and searching for Seyfert-like narrow-line ratios and broad Hα emission. BH masses are estimated using standard virial techniques. We also include a small number of dwarf galaxies with total stellar masses M{sub stellar} ≲ 10{sup 9.5} M{sub ⊙} and a subsample of the reverberation-mapped AGNs. Total stellar masses of all 341 galaxies are calculated in the most consistent manner feasible using color-dependent mass-to-light ratios. We find a clear correlation between BH mass and total stellar mass for the AGN host galaxies, with M{sub BH} ∝ M{sub stellar}, similar to that of early-type galaxies with dynamically detected BHs. However, the relation defined by the AGNs has a normalization that is lower by more than an order of magnitude, with a BH-to-total stellar mass fraction of M{sub BH}/M{sub stellar} ∼ 0.025% across the stellar mass range 10{sup 8} ≤ M{sub stellar}/M{sub ⊙} ≤ 10{sup 12}. This result has significant implications for studies at high redshift and cosmological simulations in which stellar bulges cannot be resolved.

  15. Orbital Engineering in Nickelate Heterostructures Driven by Anisotropic Oxygen Hybridization rather than Orbital Energy Levels

    DOE PAGES

    Fabbris, G.; Meyers, D.; Okamoto, J.; ...

    2016-09-30

    We used resonant inelastic x-ray scattering to investigate the electronic origin of orbital polarization in nickelate heterostructures taking LaTiO3-LaNiO3-3×(LaAlO3), a system with exceptionally large polarization, as a model system. Furthermore, we find that heterostructuring generates only minor changes in the Ni 3d orbital energy levels, contradicting the often-invoked picture in which changes in orbital energy levels generate orbital polarization. Instead, O K-edge x-ray absorption spectroscopy demonstrates that orbital polarization is caused by an anisotropic reconstruction of the oxygen ligand hole states. This also provides an explanation for the limited success of theoretical predictions based on tuning orbital energy levels andmore » implies that future theories should focus on anisotropic hybridization as the most effective means to drive large changes in electronic structure and realize novel emergent phenomena.« less

  16. Orbital Engineering in Nickelate Heterostructures Driven by Anisotropic Oxygen Hybridization rather than Orbital Energy Levels.

    PubMed

    Fabbris, G; Meyers, D; Okamoto, J; Pelliciari, J; Disa, A S; Huang, Y; Chen, Z-Y; Wu, W B; Chen, C T; Ismail-Beigi, S; Ahn, C H; Walker, F J; Huang, D J; Schmitt, T; Dean, M P M

    2016-09-30

    Resonant inelastic x-ray scattering is used to investigate the electronic origin of orbital polarization in nickelate heterostructures taking LaTiO_{3}-LaNiO_{3}-3×(LaAlO_{3}), a system with exceptionally large polarization, as a model system. We find that heterostructuring generates only minor changes in the Ni 3d orbital energy levels, contradicting the often-invoked picture in which changes in orbital energy levels generate orbital polarization. Instead, O K-edge x-ray absorption spectroscopy demonstrates that orbital polarization is caused by an anisotropic reconstruction of the oxygen ligand hole states. This provides an explanation for the limited success of theoretical predictions based on tuning orbital energy levels and implies that future theories should focus on anisotropic hybridization as the most effective means to drive large changes in electronic structure and realize novel emergent phenomena.

  17. Orbital Engineering in Nickelate Heterostructures Driven by Anisotropic Oxygen Hybridization rather than Orbital Energy Levels

    SciTech Connect

    Fabbris, G.; Meyers, D.; Okamoto, J.; Pelliciari, J.; Disa, A. S.; Huang, Y.; Chen, Z. -Y.; Wu, W. B.; Chen, C. T.; Ismail-Beigi, S.; Ahn, C. H.; Walker, F. J.; Huang, D. J.; Schmitt, T.; Dean, M. P. M.

    2016-09-30

    We used resonant inelastic x-ray scattering to investigate the electronic origin of orbital polarization in nickelate heterostructures taking LaTiO3-LaNiO3-3×(LaAlO3), a system with exceptionally large polarization, as a model system. Furthermore, we find that heterostructuring generates only minor changes in the Ni 3d orbital energy levels, contradicting the often-invoked picture in which changes in orbital energy levels generate orbital polarization. Instead, O K-edge x-ray absorption spectroscopy demonstrates that orbital polarization is caused by an anisotropic reconstruction of the oxygen ligand hole states. This also provides an explanation for the limited success of theoretical predictions based on tuning orbital energy levels and implies that future theories should focus on anisotropic hybridization as the most effective means to drive large changes in electronic structure and realize novel emergent phenomena.

  18. Energy levels of double triangular graphene quantum dots

    SciTech Connect

    Liang, F. X.; Jiang, Z. T. Zhang, H. Y.; Li, S.; Lv, Z. T.

    2014-09-28

    We investigate theoretically the energy levels of the coupled double triangular graphene quantum dots (GQDs) based on the tight-binding Hamiltonian model. The double GQDs including the ZZ-type, ZA-type, and AA-type GQDs with the two GQDs having the zigzag or armchair boundaries can be coupled together via different interdot connections, such as the direct coupling, the chains of benzene rings, and those of carbon atoms. It is shown that the energy spectrum of the coupled double GQDs is the amalgamation of those spectra of the corresponding two isolated GQDs with the modification triggered by the interdot connections. The interdot connection is inclined to lift up the degeneracies of the energy levels in different degree, and as the connection changes from the direct coupling to the long chains, the removal of energy degeneracies is suppressed in ZZ-type and AA-type double GQDs, which indicates that the two coupled GQDs are inclined to become decoupled. Then we consider the influences on the spectra of the coupled double GQDs induced by the electric fields applied on the GQDs or the connection, which manifests as the global spectrum redistribution or the local energy level shift. Finally, we study the symmetrical and asymmetrical energy spectra of the double GQDs caused by the substrates supporting the two GQDs, clearly demonstrating how the substrates affect the double GQDs' spectrum. This research elucidates the energy spectra of the coupled double GQDs, as well as the mechanics of manipulating them by the electric field and the substrates, which would be a significant reference for designing GQD-based devices.

  19. Spectrum and energy levels of Mo VI

    NASA Astrophysics Data System (ADS)

    Reader, Joseph

    1998-05-01

    We have photographed the spectrum of the Rb-like ion Mo VI from 200 to 5300 Å with a sliding-spark discharge on our 10.7-m normal- and grazing-incidence spectrographs and have observed most of the yrast transitions given by Romanov et al.(N. P. Romanov and A. R. Striganov, Opt. Spectrosc. 27), 8 (1969). from a Penning discharge. We have obtained improved values for all of the energy levels. We confirm the odd levels of Kancerevicius et al.,(A. Kancerevicius et al.), Lithuanian Phys. J. 31, 143 (1991). but have revised a number of the even levels of Edlén et al.(B. Edlén et al.), Phys. Scr. 32, 215 (1985). The ionization energy of Edlén et al.,footnotemark[4] which had been called into question by Kancerevicius et al.footnotemark[3] as a result of their revision of the odd levels,footnotemark[4] is confirmed.

  20. Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy

    PubMed Central

    Santomauro, Fabio G.; Grilj, Jakob; Mewes, Lars; Nedelcu, Georgian; Yakunin, Sergii; Rossi, Thomas; Capano, Gloria; Al Haddad, André; Budarz, James; Kinschel, Dominik; Ferreira, Dario S.; Rossi, Giacomo; Gutierrez Tovar, Mario; Grolimund, Daniel; Samson, Valerie; Nachtegaal, Maarten; Smolentsev, Grigory; Kovalenko, Maksym V.; Chergui, Majed

    2016-01-01

    We report on an element-selective study of the fate of charge carriers in photoexcited inorganic CsPbBr3 and CsPb(ClBr)3 perovskite nanocrystals in toluene solutions using time-resolved X-ray absorption spectroscopy with 80 ps time resolution. Probing the Br K-edge, the Pb L3-edge, and the Cs L2-edge, we find that holes in the valence band are localized at Br atoms, forming small polarons, while electrons appear as delocalized in the conduction band. No signature of either electronic or structural changes is observed at the Cs L2-edge. The results at the Br and Pb edges suggest the existence of a weakly localized exciton, while the absence of signatures at the Cs edge indicates that the Cs+ cation plays no role in the charge transport, at least beyond 80 ps. This first, time-resolved element-specific study of perovskites helps understand the rather modest charge carrier mobilities in these materials. PMID:28083541

  1. Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy.

    PubMed

    Santomauro, Fabio G; Grilj, Jakob; Mewes, Lars; Nedelcu, Georgian; Yakunin, Sergii; Rossi, Thomas; Capano, Gloria; Al Haddad, André; Budarz, James; Kinschel, Dominik; Ferreira, Dario S; Rossi, Giacomo; Gutierrez Tovar, Mario; Grolimund, Daniel; Samson, Valerie; Nachtegaal, Maarten; Smolentsev, Grigory; Kovalenko, Maksym V; Chergui, Majed

    2017-07-01

    We report on an element-selective study of the fate of charge carriers in photoexcited inorganic CsPbBr3 and CsPb(ClBr)3 perovskite nanocrystals in toluene solutions using time-resolved X-ray absorption spectroscopy with 80 ps time resolution. Probing the Br K-edge, the Pb L3-edge, and the Cs L2-edge, we find that holes in the valence band are localized at Br atoms, forming small polarons, while electrons appear as delocalized in the conduction band. No signature of either electronic or structural changes is observed at the Cs L2-edge. The results at the Br and Pb edges suggest the existence of a weakly localized exciton, while the absence of signatures at the Cs edge indicates that the Cs(+) cation plays no role in the charge transport, at least beyond 80 ps. This first, time-resolved element-specific study of perovskites helps understand the rather modest charge carrier mobilities in these materials.

  2. Down-hole magnetometric resistivity inversion for zinc and lead lenses localization at tobermalug, county Limerick, Ireland

    NASA Astrophysics Data System (ADS)

    Abderrezak, Bouchedda; Bernard, Giroux; Michel, Allard

    2017-02-01

    The magnetometric resistivity (MMR) method consists of measuring the variation of magnetostatic field associated to current density variations. It is based on the principle that direct current flow between two electrodes takes the path of least resistance through the earth. Consequently, conductive or relatively conductive ore bodies such as massive, semi-massive to disseminated sulphides are preferentially energized, which increases the current density in their vicinity. MMR is more efficient than electromagnetic methods in the case of weak conductivity contrasts. To improve the signal to noise ratio the magnetic field can be measured in boreholes rather than on the surface. Down-hole magnetometric resistivity measurements have been conducted in Tobermalug prospect in County Limerick, Ireland. The survey was used as an alternative to down-hole electromagnetic to delineate subhorizontal zinc/lead mineralization lenses that can be poorly conductive. Two survey areas were investigated, DHMMR1 and DHMMR2. Interpretation is based on the regularized least-squares inversion of MMR data, in which the MMR forward problem is solved with a finite volume discretization of the electrostatic and magnetostatic equations. Inversion of synthetic data generated over two conductive horizontal discs model shows that conductive structures are well positioned but their extensions is biased along current electrodes orientation. Inversion of the field data allowed localizing a few conductive elongated targets. At DHMMR1, the conductivity is weaker and seems to be associated to disseminated mineralization. DHMMR2 contains a higher conductivity and more elongated target. It appears to be associated to semi-massive sulphides.

  3. The vibrational energy levels of ammonia

    NASA Astrophysics Data System (ADS)

    Handy, Nicholas C.

    1999-02-01

    A variational 6-dimensional method is used to determine the low lying vibrational energy levels of ammonia. The six internal coordinates were chosen to be appropriate for the symmetry and inversion motion of the molecule; they were the three NH bond lengths, r1,r2,r3, the unique angle beta which each bond makes with the trisector of them, and two (of the three) angles, theta2 and theta3, between the bonds when projected on to a plane perpendicular to the trisector. The Wilson G matrix was determined for these internal coordinates both by computer algebra and by hand. An appropriate Jacobian for the motion was determined and the full Hermitian kinetic energy operator was obtained using the Podolsky transformation. Expansion functions were in the usual product form. Special attention was given to the , theta2,theta3 expansion functions so that appropriate A1,A2 and E symmetry vibrational modes were obtained explicitly. Matrix elements of the kinetic energy operator were expressed in terms of one-dimensional integrals. Variational calculations have been performed with two six-dimensional surfaces: (i) that due to Martin, Lee and Taylor; and (ii) that due to Spirko and Kraemer. Although some of the vibrational levels for both surfaces are accurate, both have inadequacies: (a) because it is a Taylor expansion about an equilibrium, based on ab initio calculations, with no attention paid to planarity; and (b) because the non-inversion part of the surface was treated perturbatively in its derivation, and in fact some of the quartic displacement powers have negative coefficients. Therefore, neither surface gave good results overall, and there is a need for a refined 6 dimensional NH surface.

  4. Temperature-dependent recombination coefficients in InGaN light-emitting diodes: Hole localization, Auger processes, and the green gap

    NASA Astrophysics Data System (ADS)

    Nippert, Felix; Karpov, Sergey Yu.; Callsen, Gordon; Galler, Bastian; Kure, Thomas; Nenstiel, Christian; Wagner, Markus R.; Straßburg, Martin; Lugauer, Hans-Jürgen; Hoffmann, Axel

    2016-10-01

    We obtain temperature-dependent recombination coefficients by measuring the quantum efficiency and differential carrier lifetimes in the state-of-the-art InGaN light-emitting diodes. This allows us to gain insight into the physical processes limiting the quantum efficiency of such devices. In the green spectral range, the efficiency deteriorates, which we assign to a combination of diminishing electron-hole wave function overlap and enhanced Auger processes, while a significant reduction in material quality with increased In content can be precluded. Here, we analyze and quantify the entire balance of all loss mechanisms and highlight the particular role of hole localization.

  5. An unambiguous signature in molecular frame photoelectron angular distributions of core hole localization in fluorine K-edge photoionization of CF4

    NASA Astrophysics Data System (ADS)

    McCurdy, C. W.; Rescigno, T. N.; Trevisan, C. S.; Lucchese, R. R.

    2016-05-01

    Molecular Frame Photoelectron Angular Distributions (MFPADs) are calculated using the Complex Kohn variational method for core-hole ionization of the carbon and fluorines in CF4 at photoelectron energies below 15 eV. The angular distributions for localized versus delocalized core-hole creation on the four equivalent fluorines are radically different. A strong propensity for the dissociation to take place via the mechanism hν +CF4 -->CF 4 + +e- -->CF 3 + +F(1s-1) -->CF 3 + +F+ + 2e- in which a core excited neutral fluorine atom ionizes during or after dissociation creates the conditions for experimental observation of core hole localization. Comparison with recent unpublished experiments at the Advanced Light Source that measured the Recoil Frame Photoelectron Angular Distributions (averaged over CF3 rotations around the recoil axis) for fluorine K-edge ionization gives unambiguous evidence that these experiments directly observed the creation of an almost completely localized core hole on the dissociating fluorine atom when the molecule was initially photoionized. Work supported by USDOE, OBES Chemical Sciences, Geosciences, and Biosciences Division.

  6. Rotation vibration energy level clustering in the XB1 ground electronic state of PH2

    NASA Astrophysics Data System (ADS)

    Yurchenko, S. N.; Thiel, W.; Jensen, Per; Bunker, P. R.

    2006-10-01

    We use previously determined potential energy surfaces for the Renner-coupled XB1 and AA1 electronic states of the phosphino (PH 2) free radical in a calculation of the energies and wavefunctions of highly excited rotational and vibrational energy levels of the X˜ state. We show how spin-orbit coupling, the Renner effect, rotational excitation, and vibrational excitation affect the clustered energy level patterns that occur. We consider both 4-fold rotational energy level clustering caused by centrifugal distortion, and vibrational energy level pairing caused by local mode behaviour. We also calculate ab initio dipole moment surfaces for the X˜ and A˜ states, and the X˜-A˜ transition moment surface, in order to obtain spectral intensities.

  7. Parsec-Scale Localization of the Quasar SDSS J1536+0441A, a Candidate Binary Black Hole System

    NASA Astrophysics Data System (ADS)

    Wrobel, J. M.; Laor, A.

    2011-01-01

    The radio-quiet quasar (RQQ) SDSS J1536+0441A shows two broad-line emission systems, recently interpreted as a binary black hole (BBH) system with a subparsec separation; as a double-peaked emitter (DPE); or as both types of systems. The NRAO VLBA was used to search for 8.4 GHz emission from SDSS J1536+0441A, focusing on the localization region for the broad-line emission, of area 5400 mas2 (0.15 kpc2). One source was detected, with a diameter of less than 1.63 mas (8.5 pc) and a brightness temperature Tb > 1.2 x 107 K. New NRAO VLA photometry at 22.5 GHz, and earlier photometry at 8.5 GHz, gives a rising spectral slope of alpha = 0.35+/-0.08. The slope implies an optically thick synchrotron source, with a radius of about 0.04 pc, and thus Tb 4.8 x 1010 K. The implied radio sphere at the rest frequency 31.2 GHz has a radius of 800 gravitational radii, just below the size of the broad line region in this object. Observations at higher frequencies with the EVLA and ALMA can probe whether or not the radio sphere is as compact as expected from the coronal framework for the radio emission of RQQs. The NRAO is a facility of the NSF operated under cooperative agreement by AUI.

  8. Energy Levels of 'Hydrogen Atom' in Discrete Time Dynamics

    SciTech Connect

    Khrennikov, Andrei; Volovich, Yaroslav

    2006-01-04

    We analyze dynamical consequences of a conjecture that there exists a fundamental (indivisible) quant of time. In particular we study the problem of discrete energy levels of hydrogen atom. We are able to reconstruct potential which in discrete time formalism leads to energy levels of unperturbed hydrogen atom. We also consider linear energy levels of quantum harmonic oscillator and show how they are produced in the discrete time formalism. More generally, we show that in discrete time formalism finite motion in central potential leads to discrete energy spectrum, the property which is common for quantum mechanical theory. Thus deterministic (but discrete time{exclamation_point}) dynamics is compatible with discrete energy levels.

  9. CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES: Localized electronic states in gaps on hole-net structures of silicon

    NASA Astrophysics Data System (ADS)

    Huang, Wei-Qi; Lü, Quan; Zhang, Rong-Tao; Wang, Xiao-Yun; Yu, Shi-Qiang

    2009-11-01

    Hole-net structure silicon is fabricated by laser irradiation and annealing, on which a photoluminescence (PL) band in a the region of 650-750 nm is pinned and its intensity increases obviously after oxidation. It is found that the PL intensity changes with both laser irradiation time and annealing time. Calculations show that some localized states appear in the band gap of the smaller nanocrystal when Si = O bonds or Si-O-Si bonds are passivated on the surface. It is discovered that the density and the number of Si = O bonds or Si-O-Si bonds related to both the irradiation time and the annealing time obviously affect the generation of the localized gap states of hole-net silicon, by which the production of stimulated emission through controlling oxidation time can be explained.

  10. A Local Baseline of the Black Hole Mass Scaling Relations for Active Galaxies. III.The MBH - σ Relation

    NASA Astrophysics Data System (ADS)

    Bennert, Vardha N.; Treu, Tommaso; Auger, Matthew W.; Cosens, Maren; Park, Daeseong; Rosen, Rebecca; Harris, Chelsea E.; Malkan, Matthew A.; Woo, Jong-Hak

    2015-08-01

    We create a baseline of the black hole (BH) mass (MBH)—stellar-velocity dispersion (σ) relation for active galaxies, using a sample of 66 local (0.02

  11. Seleno groups control the energy-level alignment between conjugated organic molecules and metals

    SciTech Connect

    Niederhausen, Jens; Heimel, Georg; Wilke, Andreas; Rabe, Jürgen P.; Duhm, Steffen; Bürker, Christoph; Schreiber, Frank; Xin, Qian; Vollmer, Antje; Kera, Satoshi; Ueno, Nobuo; Koch, Norbert

    2014-01-07

    The charge injection from metallic electrodes into hole transporting layers of organic devices often suffers from deviations from vacuum-level alignment at the interface. Even for weakly interacting cases, Pauli repulsion causes an interface dipole between the metal and conjugated organic molecules (COMs) (so called “push-back” or “cushion” effect), which leads notoriously to an increase of the hole injection barrier. On the other hand, for chalcogenol self assembled monolayers (SAMs) on metal surfaces, chemisorption via the formation of chalcogen-metal bonds is commonly observed. In these cases, the energy-level alignment is governed by chalcogen-derived interface states in the vicinity of the metal Fermi-level. In this work, we present X-ray and ultraviolet photoelectron spectroscopy data that demonstrate that the interfacial energy-level alignment mechanism found for chalcogenol SAMs also applies to seleno-functionalized COMs. This can be exploited to mitigate the push-back effect at metal contacts, notably also when COMs with low ionization energies are employed, permitting exceedingly low hole injection barriers, as shown here for the interfaces of tetraseleno-tetracene with Au(111), Ag(111), and Cu(111)

  12. A LOCAL BASELINE OF THE BLACK HOLE MASS SCALING RELATIONS FOR ACTIVE GALAXIES. I. METHODOLOGY AND RESULTS OF PILOT STUDY

    SciTech Connect

    Bennert, Vardha Nicola; Auger, Matthew W.; Treu, Tommaso; Woo, Jong-Hak; Malkan, Matthew A. E-mail: mauger@physics.ucsb.edu E-mail: woo@astro.snu.ac.kr

    2011-01-10

    We present high-quality Keck/LRIS long-slit spectroscopy of a pilot sample of 25 local active galaxies selected from the SDSS (0.02 {<=}z {<=} 0.1; M{sub BH}>10{sup 7} M{sub sun}) to study the relations between black hole mass (M{sub BH}) and host-galaxy properties. We determine stellar kinematics of the host galaxy, deriving stellar-velocity dispersion profiles and rotation curves from three spectral regions (including CaH and K, MgIb triplet, and Ca II triplet). In addition, we perform surface photometry on SDSS images, using a newly developed code for joint multi-band analysis. BH masses are estimated from the width of the H{beta} emission line and the host-galaxy free 5100 A active galactic nucleus (AGN) luminosity. Combining results from spectroscopy and imaging allows us to study four M{sub BH} scaling relations: M{sub BH}-{sigma}, M{sub BH}-L{sub sph}, M{sub BH}-M{sub sph,*}, and M{sub BH}-M{sub sph,dyn}. We find the following results. First, stellar-velocity dispersions determined from aperture spectra (e.g., SDSS fiber spectra or unresolved data from distant galaxies) can be biased, depending on aperture size, AGN contamination, and host-galaxy morphology. However, such a bias cannot explain the offset seen in the M{sub BH}-{sigma} relation at higher redshifts. Second, while the CaT region is the cleanest to determine stellar-velocity dispersions, both the MgIb region, corrected for Fe II emission, and the CaHK region, although often swamped by the AGN power-law continuum and emission lines, can give results accurate to within a few percent. Third, the M{sub BH} scaling relations of our pilot sample agree in slope and scatter with those of other local active and inactive galaxies. In the next papers of the series we will quantify the scaling relations, exploiting the full sample of {approx}100 objects.

  13. Energy level alignment between C 60 and Al using ultraviolet photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Seo, J. H.; Kang, S. J.; Kim, C. Y.; Cho, S. W.; Yoo, K.-H.; Whang, C. N.

    2006-09-01

    The energy level alignment between C 60 and Al has been investigated by using ultraviolet photoelectron spectroscopy. To obtain the interfacial electronic structure between C 60 and Al, C 60 was deposited on a clean Al substrate in a stepwise manner. The valence-band spectra were measured immediately after each step of C 60 deposition without breaking the vacuum. The measured onset of the highest occupied molecular orbital energy level was located at 1.59 eV from the Fermi level of Al. The vacuum level was shifted 0.68 eV toward lower binding energy with additional C 60 layers. The observed vacuum level shift means that the interface dipole exists at the interface between C 60 and Al. The barrier height of electron injection from Al to C 60 is 0.11 eV, which is smaller value than that of hole injection.

  14. Effects of magnetization on hole localization and MnO{sub 6} octahedra disorder in hole-doped lanthanum manganese perovskites

    SciTech Connect

    Booth, C.H.; Brosha, E.L.; Kwei, G.H.; Bridges, F.; Neumeier, J.J.

    1998-12-31

    The authors review the distortions of the MnO{sub 6} octahedra reduced by magnetization in hole-doped lanthanum manganese perovskites. The systems they consider include the colossal magnetoresistance (CMR) samples La{sub 1{minus}x}Ca{sub x}MnO{sub 3} (x = 0.21, 0.25, 0.30), La{sub 0.76}Ba{sub 0.33}MnO{sub 3}, and a poorer quality La{sub 0.76}Pb{sub 0.33}MnO{sub 3} sample. They also report preliminary work on three samples of oxygen-doped LaMnO{sub 3+{delta}} and a lanthanum-deficient La{sub 0.9}MnO{sub 3} sample. They find the same exponential relationship between the removal of the distortion and the sample magnetization in the Ba- and Pb-doped CMR samples as was found previously for the Ca doped samples. The MnO{sub 6} distortion in the oxygen-doped materials is found to slightly reduce below the magnetic transition, although much less so than in the CMR samples. Above T{sub C}, the antiferromagnetic LaMnO{sub 3.006} sample shows a softer temperature dependence of the Mn-O bond length distribution broadening. Surprisingly, even this sample shows deviations from thermal (Debye) behavior near T{sub N}, possibly due to FM coupling within MnO planes.

  15. Ab initio study of energy-level alignments in polymer-dye blends

    NASA Astrophysics Data System (ADS)

    Pasveer, W. F.; Bobbert, P. A.; Michels, M. A. J.; Langeveld-Voss, B. M. W.; Schoo, H. F. M.; Bastiaansen, J. J. A. M.

    2003-11-01

    Polymers with a small amount of dye blended in offer an attractive possibility to change the color of the emitted light by changing the dye. We present ab initio calculations within density-functional theory of the HOMO/LUMO energies for dipyrrolomethane dyes, polyphenylenevinylene and polyfluorene. Special attention is paid to the trends in these energies with variation of the sidegroups of the dyes as observed in cyclic-voltammetry measurements. From the energy-level alignments between dye and polymer we can understand and predict electron and hole trapping, crucial processes for the functioning of light-emitting devices based on these blends.

  16. Spectroscopic analysis of stellar mass black-hole mergers in our local universe with ground-based gravitational wave detectors

    NASA Astrophysics Data System (ADS)

    Bhagwat, Swetha; Brown, Duncan; Ballmer, Stefan

    2017-01-01

    Motivated by the recent discoveries of binary black-hole mergers by the Advanced Laser Interferometer Gravitational-wave Observatory (Advanced LIGO), we investigate the prospects of ground based detectors to perform a spectroscopic analysis of signals emitted during the ringdown of the Kerr black-hole formed by a stellar mass binary black-hole merger. We investigate the detectability and resolvability of the sub-dominant modes l = m = 3, l = m = 4 and l = 2;m = 1. We find that new ground-based facilities such as Einstein Telescope or Cosmic Explorer could measure multiple ringdown modes in over 300 events per year. We also investigate detector tuning for ringdown oriented searches.

  17. Energy level alignment at the methylammonium lead iodide/copper phthalocyanine interface

    SciTech Connect

    Chen, Shi; Goh, Teck Wee; Sum, Tze Chien E-mail: Tzechien@ntu.edu.sg; Sabba, Dharani; Chua, Julianto; Mathews, Nripan; Huan, Cheng Hon Alfred E-mail: Tzechien@ntu.edu.sg

    2014-08-01

    The energy level alignment at the CH{sub 3}NH{sub 3}PbI{sub 3}/copper phthalocyanine (CuPc) interface is investigated by X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS). XPS reveal a 0.3 eV downward band bending in the CuPc film. UPS validate this finding and further reveal negligible interfacial dipole formation – verifying the viability of vacuum level alignment. The highest occupied molecular orbital of CuPc is found to be closer to the Fermi level than the valance band maximum of CH{sub 3}NH{sub 3}PbI{sub 3}, facilitating hole transfer from CH{sub 3}NH{sub 3}PbI{sub 3} to CuPc. However, subsequent hole extraction from CuPc may be impeded by the downward band bending in the CuPc layer.

  18. Ferromagnetism in Ga(1-x)Mn(x)P: evidence for inter-Mn exchange mediated by localized holes within a detached impurity band.

    PubMed

    Scarpulla, M A; Cardozo, B L; Farshchi, R; Oo, W M Hlaing; McCluskey, M D; Yu, K M; Dubon, O D

    2005-11-11

    We report an energy gap for hole photoexcitation in ferromagnetic Ga(1-x)Mn(x)P that is tunable by Mn concentration (x < or = 0.06) and by compensation with Te donors. For x approximately 0.06, electrical transport is dominated by excitation across this gap above the Curie temperature (TC) of 60 K and by thermally activated hopping below TC. Magnetization measurements reveal a moment of 3.9 +/- 0.4 muB per substitutional Mn while the large anomalous Hall signal demonstrates that the ferromagnetism is carrier mediated. In aggregate these data indicate that ferromagnetic exchange is mediated by holes localized in a Mn-derived band that is detached from the valence band.

  19. Efficiencies of thermodynamics when temperature-dependent energy levels exist.

    PubMed

    Yamano, Takuya

    2016-03-14

    Based on a generalized form of the second law of thermodynamics, in which the temperature-dependent energy levels of a system are appropriately included in entropy generation, we show that the effect reasonably appears in efficiencies of thermodynamic processes.

  20. Housing Electrons: Relating Quantum Numbers, Energy Levels, and Electron Configurations.

    ERIC Educational Resources Information Center

    Garofalo, Anthony

    1997-01-01

    Presents an activity that combines the concepts of quantum numbers and probability locations, energy levels, and electron configurations in a concrete, hands-on way. Uses model houses constructed out of foam board and colored beads to represent electrons. (JRH)

  1. "Piekara's Chair": Mechanical Model for Atomic Energy Levels.

    ERIC Educational Resources Information Center

    Golab-Meyer, Zofia

    1991-01-01

    Uses the teaching method of models or analogies, specifically the model called "Piekara's chair," to show how teaching classical mechanics can familiarize students with the notion of energy levels in atomic physics. (MDH)

  2. "Piekara's Chair": Mechanical Model for Atomic Energy Levels.

    ERIC Educational Resources Information Center

    Golab-Meyer, Zofia

    1991-01-01

    Uses the teaching method of models or analogies, specifically the model called "Piekara's chair," to show how teaching classical mechanics can familiarize students with the notion of energy levels in atomic physics. (MDH)

  3. Spectroscopic analysis of stellar mass black-hole mergers in our local universe with ground-based gravitational wave detectors

    NASA Astrophysics Data System (ADS)

    Bhagwat, Swetha; Brown, Duncan A.; Ballmer, Stefan W.

    2016-10-01

    Motivated by the recent discoveries of binary black-hole mergers by the Advanced Laser Interferometer Gravitational-Wave Observatory (Advanced LIGO), we investigate the prospects of ground-based detectors to perform a spectroscopic analysis of signals emitted during the ringdown of the final Kerr black hole formed by a stellar mass binary black-hole merger. Although it is unlikely that Advanced LIGO can measure multiple modes of the ringdown, assuming an optimistic rate of 240 Gpc-3 yr-1 , upgrades to the existing LIGO detectors could measure multiple ringdown modes in ˜6 detections per year. New ground-based facilities such as Einstein Telescope or Cosmic Explorer could measure multiple ringdown modes in over 300 events per year. We perform Monte Carlo injections of 1 06 binary black-hole mergers in a search volume defined by a sphere of radius 1500 Mpc centered at the detector, for various proposed ground-based detector models. We assume a uniform random distribution in component masses of the progenitor binaries, sky positions and orientations to investigate the fraction of the population that satisfies our criteria for detectability and resolvability of multiple ringdown modes. We investigate the detectability and resolvability of the subdominant modes l =m =3 , l =m =4 and l =2 , m =1 . Our results indicate that the modes with l =m =3 and l =2 , m =1 are the most promising candidates for subdominant mode measurability. We find that for stellar mass black-hole mergers, resolvability is not a limiting criteria for these modes. We emphasize that the measurability of the l =2 , m =1 mode is not impeded by the resolvability criterion.

  4. Calculation of Rydberg energy levels for the francium atom

    NASA Astrophysics Data System (ADS)

    Huang, Shi-Zhong; Chu, Jin-Min

    2010-06-01

    Based on the weakest bound electron potential model theory, the Rydberg energy levels and quantum defects of the np2Po1/2 (n = 7-50) and np2Po3/2 (n = 7-50) spectrum series for the francium atom are calculated. The calculated results are in excellent agreement with the 48 measured levels, and 40 energy levels for highly excited states are predicted.

  5. Localized surface plasmon induced enhancement of electron-hole generation with silver metal island at n-Al:ZnO/p-Cu{sub 2}O heterojunction

    SciTech Connect

    Kaur, Gurpreet Yadav, K. L.; Mitra, Anirban

    2015-08-03

    Localized surface plasmon induced generation of electron-hole pairs with inclusion of metal islands of noble metal like Ag can enhance the photocurrent. A heterostructure of n-Al:ZnO/p-Cu{sub 2}O with inclusion of Ag metalislands at the junction has been fabricated. I-V characteristic curve of these heterostructures shows a significant enhancement of photocurrent under the illumination (1.5 AMU). This enhancement of photocurrent is attributed to the supply of hot electrons generated in silver metal nanoislands. It has also been shown that inclusion of metal islands increases the absorption of solar spectrum in visible region at 500 nm. Enhancement of photocurrent may also be due to the direct resonance energy transfer from Localized Surface Plasmons of metal islands to Cu{sub 2}O.

  6. Temperature dependent energy levels of methylammonium lead iodide perovskite

    SciTech Connect

    Foley, Benjamin J.; Marlowe, Daniel L.; Choi, Joshua J. E-mail: mgupta@virginia.edu; Sun, Keye; Gupta, Mool C. E-mail: mgupta@virginia.edu; Saidi, Wissam A.; Scudiero, Louis E-mail: mgupta@virginia.edu

    2015-06-15

    Temperature dependent energy levels of methylammonium lead iodide are investigated using a combination of ultraviolet photoemission spectroscopy and optical spectroscopy. Our results show that the valence band maximum and conduction band minimum shift down in energy by 110 meV and 77 meV as temperature increases from 28 °C to 85 °C. Density functional theory calculations using slab structures show that the decreased orbital splitting due to thermal expansion is a major contribution to the experimentally observed shift in energy levels. Our results have implications for solar cell performance under operating conditions with continued sunlight exposure and increased temperature.

  7. Classification of Cm i energy levels using counterpropagation neural networks

    NASA Astrophysics Data System (ADS)

    Peterson, Keith L.

    1990-03-01

    Two different types of counterpropagation neural networks are applied to the problem of classifying unknown Cm i energy levels. Four features-energy level, angular momentum, g factor, and isotope shift-are used to describe each level. One type of network is trained at the 100% level, while the other type is trained in excess of 96%. Performance on test sets is not as good, ranging from 81.2% to 93.7%. These results equal or surpass pattern recognition results obtained in an earlier study. Classifications for 12 odd-parity unknowns and 42 even-parity unknowns are also obtained and compared with the previous pattern recognition predictions.

  8. Black holes

    PubMed Central

    Brügmann, B.; Ghez, A. M.; Greiner, J.

    2001-01-01

    Recent progress in black hole research is illustrated by three examples. We discuss the observational challenges that were met to show that a supermassive black hole exists at the center of our galaxy. Stellar-size black holes have been studied in x-ray binaries and microquasars. Finally, numerical simulations have become possible for the merger of black hole binaries. PMID:11553801

  9. Black holes.

    PubMed

    Brügmann, B; Ghez, A M; Greiner, J

    2001-09-11

    Recent progress in black hole research is illustrated by three examples. We discuss the observational challenges that were met to show that a supermassive black hole exists at the center of our galaxy. Stellar-size black holes have been studied in x-ray binaries and microquasars. Finally, numerical simulations have become possible for the merger of black hole binaries.

  10. Degeneracy of energy levels of pseudo-Gaussian oscillators

    SciTech Connect

    Iacob, Theodor-Felix; Iacob, Felix; Lute, Marina

    2015-12-07

    We study the main features of the isotropic radial pseudo-Gaussian oscillators spectral properties. This study is made upon the energy levels degeneracy with respect to orbital angular momentum quantum number. In a previous work [6] we have shown that the pseudo-Gaussian oscillators belong to the class of quasi-exactly solvable models and an exact solution has been found.

  11. Energy level statistics of a critical random matrix ensemble

    NASA Astrophysics Data System (ADS)

    Ndawana, Macleans L.; Kravtsov, Vladimir E.

    2003-03-01

    We study energy level statistics of a critical random matrix ensemble of power-law banded complex Hermitian matrices. We compute the level compressibility via the level-number variance and compare it with the analytical formula for the exactly solvable model of Moshe, Neuberger and Shapiro.

  12. The Local Black Hole Mass Function Derived from the MBH-P and the MBH-n Relations

    NASA Astrophysics Data System (ADS)

    Mutlu-Pakdil, Burçin; Seigar, Marc S.; Davis, Benjamin L.

    2016-10-01

    We present a determination of the supermassive black hole (SMBH) mass function for early- and late-type galaxies in the nearby universe (z < 0.0057), established from a volume-limited sample consisting of a statistically complete collection of the brightest spiral galaxies in the southern hemisphere. The sample is defined by limiting luminosity (redshift-independent) distance, D L = 25.4 Mpc, and a limiting absolute B-band magnitude, {{M}}B=-19.12. These limits define a sample of 140 spiral, 30 elliptical (E), and 38 lenticular (S0) galaxies. We established the Sérsic index distribution for early-type (E/S0) galaxies in our sample. Davis et al. established the pitch angle distribution for their sample, which is identical to our late-type (spiral) galaxy sample. We then used the pitch angle and the Sérsic index distributions in order to estimate the SMBH mass function for our volume-limited sample. The observational simplicity of our approach relies on the empirical relation between the mass of the central SMBH and the Sérsic index for an early-type galaxy or the logarithmic spiral-arm pitch angle for a spiral galaxy. Our SMBH mass function agrees well at the high-mass end with previous values in the literature. At the low-mass end, although inconsistencies exist in previous works that still need to be resolved, our work is more in line with expectations based on modeling of black hole evolution.

  13. Using Local Radiation MHD Simulations to Attempt to Understand the Very High/Steep Power Law State of Black Hole X-ray Binaries

    NASA Astrophysics Data System (ADS)

    Blaes, Omer

    Stellar mass black holes in certain types of binary systems accrete matter from their companion stars through rotating, turbulent flows known as accretion disks. These disks are observed by space X-ray missions to have a number of distinct spectral/variability states, the most mysterious one being the very high/steep power law state that generally occurs at very high luminosities. This state is particularly interesting as it exhibits unique quasi-periodic oscillations observed in the X-rays that, if understood, might help us directly measure the properties of the black hole spacetime. Radiation pressure is an important physical process at such high luminosities, and modifies the character of the accretion disk in a number of unique ways. One of the ways that it does this is that it enables turbulent speeds in the disk to exceed thermal speeds of electrons, thereby introducing a completely new radiation process - turbulent Comptonization. This radiation process is promising for explaining the unique spectral characteristics of the very high/steep power law state. We will test this hypothesis by making detailed calculations of the emergent radiation spectrum from numerical simulation data of the turbulence in local patches of the disk at high levels of radiation pressure. These will be the first detailed theoretical calculations of turbulent Comptonization, which should be an important process for modeling NASA data from high luminosity black hole accretion. We hope that this will shed light on the nature of the mysterious very high/steep power law state. The research will form the basis of the PhD thesis of a graduate student, in line with NASA's educational and training objectives.

  14. Emergence of Space-Time Localization and Cosmic Decoherence:. More on Irreversible Time, Dark Energy, Anti-Matter and Black-Holes

    NASA Astrophysics Data System (ADS)

    Magnon, Anne

    2005-04-01

    anticipated by black-hole event horizons, cosmic censors able to shelter causal geometry). In analogy with black-hole singularities, the Big-Bang can be viewed as a geometric hint that a transition from incoherence to (causal space-time) localization and related coherence (comprehensibility), is taking place (space-time demolition, a reverse process towards incoherence or information recycling, is expected in the vicinity of singularities, as hinted by black-holes and related "time-machines"). A theory of the emergence of perception (and life?), in connection with observability and the function of partition (able to screen totality), is on its way [interface incoherence-coherence, sleeping and awaking states of localization, horizons of perception etc, are anticipated by black-hole event horizons, beyond which a non causal, dimensionless incoherent regime or memorization process, presents itself with the loss of localization, suggesting a unifying regime (ultimate energies?) hidden in cosmic potentialities]. The decoherence process presented here, suggests an ultimate interaction, expression of the logical relation of subsystems to totality, and to be identified to the flow of information or its recycling through cosmic jump (this is anticipated by the dissipation of distance or hierarchies on null-cones, themselves recycled with information and events). The geometric projection of this unified irreversible dynamics is expressed by unified Yang-Mills field equations (coupled to Einsteinian gravity). An ultimate form of action ("set"-volumes of information) presents itself, whose extrema can be achieved through extremal transfer of information and related partition of cells of information (thus anticipating the mitosis of living cells, possibly triggered at the non localizable level, as imposed by the logical regime of cosmic decoherence: participating subsystems ?). The matching of the objective and subjective facets of (information and) decoherences is perceived as contact

  15. AGNs and Their Host Galaxies in the Local Universe: Two Mass-independent Eddington Ratio Distribution Functions Characterize Black Hole Growth

    NASA Astrophysics Data System (ADS)

    Weigel, Anna K.; Schawinski, Kevin; Caplar, Neven; Wong, O. Ivy; Treister, Ezequiel; Trakhtenbrot, Benny

    2017-08-01

    We use a phenomenological model to show that black hole growth in the local universe (z≲ 0.1) can be described by two separate, mass-independent Eddington ratio distribution functions (ERDFs). We assume that black holes can be divided into two independent groups: those with radiatively efficient accretion, primarily hosted by optically blue and green galaxies, and those with radiatively inefficient accretion, which are mainly found in red galaxies. With observed galaxy stellar mass functions as input, we show that the observed active galactic nucleus (AGN) luminosity functions can be reproduced by using mass-independent, broken power-law-shaped ERDFs. We use the observed hard X-ray and 1.4 GHz radio luminosity functions to constrain the ERDF for radiatively efficient and inefficient AGNs, respectively. We also test alternative ERDF shapes and mass-dependent models. Our results are consistent with a mass-independent AGN fraction and AGN hosts being randomly drawn from the galaxy population. We argue that the ERDF is not shaped by galaxy-scale effects, but by how efficiently material can be transported from the inner few parsecs to the accretion disc. Our results are incompatible with the simplest form of mass quenching where massive galaxies host higher accretion rate AGNs. Furthermore, if reaching a certain Eddington ratio is a sufficient condition for maintenance mode, it can occur in all red galaxies, not just the most massive ones.

  16. A LOCAL BASELINE OF THE BLACK HOLE MASS SCALING RELATIONS FOR ACTIVE GALAXIES. II. MEASURING STELLAR VELOCITY DISPERSION IN ACTIVE GALAXIES

    SciTech Connect

    Harris, Chelsea E.; Bennert, Vardha N.; Auger, Matthew W.; Treu, Tommaso; Woo, Jong-Hak; Malkan, Matthew A. E-mail: mauger@physics.ucsb.edu E-mail: vbennert@calpoly.edu E-mail: malkan@astro.ucla.edu

    2012-08-01

    We derive spatially resolved stellar kinematics for a sample of 84 out of 104 observed local (0.02 < z < 0.09) galaxies hosting type-1 active galactic nuclei (AGNs), based on long-slit spectra obtained at the 10 m W. M. Keck-1 Telescope. In addition to providing central stellar velocity dispersions, we measure major axis rotation curves and velocity dispersion profiles using three separate wavelength regions, including the prominent Ca H and K, Mg Ib, and Ca II NIR stellar features. In this paper, we compare kinematic measurements of stellar velocity dispersion obtained for different apertures, wavelength regions, and signal-to-noise ratios, and provide recipes to cross-calibrate the measurements reducing systematic effects to the level of a few percent. We also provide simple recipes based on readily observable quantities such as global colors and Ca H and K equivalent width that will allow observers of high-redshift AGN hosts to increase the probability of obtaining reliable stellar kinematic measurements from unresolved spectra in the region surrounding the Ca H and K lines. In subsequent papers in this series, we will combine this unprecedented spectroscopic data set with surface photometry and black hole mass measurements to study in detail the scaling relations between host galaxy properties and black hole mass.

  17. Effects of localized holes on charge transport, local structure and spin dynamics in the metallic state of CMR La{sub 1{minus}x}Ca{sub x}MnO{sub 3}

    SciTech Connect

    Heffner, R.H.; Hundley, M.F.; Booth, C.H. |

    1998-03-01

    The authors review resistivity, x-ray-absorption fine-structure (XAFS) and muon spin relaxation ({mu}SR) data which provide clear evidence for localized holes causing polaron distortion and unusual spin dynamics below {Tc} in ``colossal magnetoresistive`` (CMR) La{sub 1{minus}x}Ca{sub x}MnO{sub 3}. Resistivity measurements for x = 0.33 under an applied field H have shown that ln[{rho}(H,T)] {infinity}-M, where M is the magnetization. The XAFS data show a similar functional dependence for the polaron distortions on M The data from these two measurements are interpreted in terms of some fraction of the available holes x remaining localized and some increasing fraction becoming delocalized with increasing M Finally, this polaron-induced spatial inhomogeneity yields anomalously slow, spatially inhomogeneous spin dynamics below {Tc}, as shown in the {mu}SR data. These experiments individually probe the charge, lattice and spin degrees of freedom in this CMR system and suggest that the polarons retain some identity even at temperatures significantly below {Tc}.

  18. Continuous or discrete: Tuning the energy level alignment of organic layers with alkali dopants

    NASA Astrophysics Data System (ADS)

    Ules, Thomas; Lüftner, Daniel; Reinisch, Eva Maria; Koller, Georg; Puschnig, Peter; Ramsey, Michael G.

    2016-11-01

    This paper investigates the effects of cesium (Cs) deposited on pentacene (5A) and sexiphenyl (6P) monolayers on the Ag(110) substrate. The process of doping and the energy level alignment are studied quantitatively and contrasted. While ultimately for both molecules lowest unoccupied molecular orbital (LUMO) filling on charge transfer upon Cs dosing is observed, the doping processes are tellingly different. In the case of 5A, hybrid molecule-substrate states and doping states coexist at lowest Cs exposures, while for 6P doping states appear only after Cs has completely decoupled the monolayer from the substrate. With the support of density functional theory calculations, this different behavior is rationalized by the local character of electrostatic potential changes induced by dopants in relation to the spatial extent of the molecules. This also has severe effects on the energy level alignment, which for most dopant/molecule systems cannot be considered continuous but discrete.

  19. Energy levels of hybrid monolayer-bilayer graphene quantum dots

    NASA Astrophysics Data System (ADS)

    Mirzakhani, M.; Zarenia, M.; Ketabi, S. A.; da Costa, D. R.; Peeters, F. M.

    2016-04-01

    Often real samples of graphene consist of islands of both monolayer and bilayer graphene. Bound states in such hybrid quantum dots are investigated for (i) a circular single-layer graphene quantum dot surrounded by an infinite bilayer graphene sheet and (ii) a circular bilayer graphene quantum dot surrounded by an infinite single-layer graphene. Using the continuum model and applying zigzag boundary conditions at the single-layer-bilayer graphene interface, we obtain analytical results for the energy levels and the corresponding wave spinors. Their dependence on perpendicular magnetic and electric fields are studied for both types of quantum dots. The energy levels exhibit characteristics of interface states, and we find anticrossings and closing of the energy gap in the presence of a bias potential.

  20. How to Draw Energy Level Diagrams in Excitonic Solar Cells.

    PubMed

    Zhu, X-Y

    2014-07-03

    Emerging photovoltaic devices based on molecular and nanomaterials are mostly excitonic in nature. The initial absorption of a photon in these materials creates an exciton that can subsequently dissociate in each material or at their interfaces to give charge carriers. Any attempt at mechanistic understanding of excitonic solar cells must start with drawing energy level diagrams. This seemingly elementary exercise, which is described in textbooks for inorganic solar cells, has turned out to be a difficult subject in the literature. The problem stems from conceptual confusion of single-particle energy with quasi-particle energy and the misleading practice of mixing the two on the same energy level diagram. Here, I discuss how to draw physically accurate energy diagrams in excitonic solar cells using only single-particle energies (ionization potentials and electron affinities) of both ground and optically excited states. I will briefly discuss current understanding on the electronic energy landscape responsible for efficient charge separation in excitonic solar cells.

  1. Calculation of energy levels, {ital E}1 transition amplitudes, and parity violation in francium

    SciTech Connect

    Dzuba, V.A.; Flambaum, V.V.; Sushkov, O.P.

    1995-05-01

    Many-body perturbation theory in the screened Coulomb interaction was used to calculate energy levels, {ital E}1 trransition amplitudes, and the parity-nonconserving (PNC) {ital E}1 amplitude of the 7{ital s}-8{ital s} transition in francium. The method takes into account the core-polarization effect, the second-order correlations, and the three dominating sequences of higher-order correlation diagrams: screening of the electron-electron interaction, particle-hole interaction, and the iterations of the self-energy operator. The result for the PNC amplitude for {sup 223}Fr is {ital E}1(7{ital s}-8{ital s})=(1.59{plus_minus}{similar_to}1%){times}10{sup {minus}10}{ital iea}{sub {ital B}}({minus}{ital Q}{sub {ital W}}/{ital N}), where {ital Q}{sub {ital W}} is the weak charge of the nucleus, {ital N}=136 is the number of neutrons, {ital e}={vert_bar}{ital e}{vert_bar} is the elementary charge, and {ital a}{sub {ital B}} is the Bohr radius. Our prediction for the position of the 8{ital s} energy level of Fr, which has not been measured yet, is 13 110 cm{sup {minus}1} below the limit of the continuous spectrum. The accuracy of the calculations was controlled by comparison with available experimental data and analogous calculations for cesium. It is estimated to be {similar_to}0.1% for the energy levels and {similar_to}1% for the transition amplitudes.

  2. Energy level transitions of gas in a 2D nanopore

    SciTech Connect

    Grinyaev, Yurii V.; Chertova, Nadezhda V.; Psakhie, Sergei G.

    2015-10-27

    An analytical study of gas behavior in a 2D nanopore was performed. It is shown that the temperature dependence of gas energy can be stepwise due to transitions from one size-quantized subband to another. Taking into account quantum size effects results in energy level transitions governed by the nanopore size, temperature and gas density. This effect leads to an abrupt change of gas heat capacity in the nanopore at the above varying system parameters.

  3. Energy levels scheme simulation of divalent cobalt doped bismuth germanate

    SciTech Connect

    Andreici, Emiliana-Laura; Petkova, Petya; Avram, Nicolae M.

    2015-12-07

    The aim of this paper is to simulate the energy levels scheme for Bismuth Germanate (BGO) doped with divalent cobalt, in order to give a reliable explanation for spectral experimental data. In the semiempirical crystal field theory we first modeled the Crystal Field Parameters (CFPs) of BGO:Cr{sup 2+} system, in the frame of Exchange Charge Model (ECM), with actually site symmetry of the impurity ions after doping. The values of CFPs depend on the geometry of doped host matrix and by parameter G of ECM. First, we optimized the geometry of undoped BGO host matrix and afterwards, that of doped BGO with divalent cobalt. The charges effect of ligands and covalence bonding between cobalt cations and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the CFPs we simulate the energy levels scheme of cobalt ions, by diagonalizing the matrix of the doped crystal Hamiltonian. Obviously, energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison of obtained results with experimental data shows quite satisfactory, which justify the model and simulation schemes used for the title system.

  4. Exploring Black Hole Dynamics

    NASA Astrophysics Data System (ADS)

    Chung, Hyeyoun

    2015-10-01

    This thesis explores the evolution of different types of black holes, and the ways in which black hole dynamics can be used to answer questions about other physical systems. We first investigate the differences in observable gravitational effects between a four-dimensional Randall-Sundrum (RS) braneworld universe compared to a universe without the extra dimension, by considering a black hole solution to the braneworld model that is localized on the brane. When the brane has a negative cosmological constant, then for a certain range of parameters for the black hole, the intersection of the black hole with the brane approximates a Banados-Teitelboim-Zanelli (BTZ) black hole on the brane with corrections that fall off exponentially outside the horizon. We compute the quasinormal modes of the braneworld black hole, and compare them to the known quasinormal modes of the three-dimensional BTZ black hole. We find that there are two distinct regions for the braneworld black hole solutions that are reflected in the dependence of the quasinormal modes on the black hole mass. The imaginary parts of the quasinormal modes display phenomenological similarities to the quasinormal modes of the three-dimensional BTZ black hole, indicating that nonlinear gravitational effects may not be enough to distinguish between a lower-dimensional theory and a theory derived from a higher-dimensional braneworld. Secondly, we consider the evolution of non-extremal black holes in N=4, d=2 supergravity, and investigate how such black holes might evolve over time if perturbed away from extremality. We study this problem in the probe limit by finding tunneling amplitudes for a Dirac field in a single-centered background, which gives the decay rates for the emission of charged probe black holes from the central black hole. We find that there is no minimum to the potential for the probe particles at a finite distance from the central black hole, so any probes that are emitted escape to infinity. If

  5. Energy levels of ABC-stacked trilayer graphene quantum dots with infinite-mass boundary conditions

    NASA Astrophysics Data System (ADS)

    Mirzakhani, M.; Zarenia, M.; da Costa, D. R.; Ketabi, S. A.; Peeters, F. M.

    2016-10-01

    Using the continuum model, we investigate the confined states and the corresponding wave functions of ABC-stacked trilayer graphene (TLG) quantum dots (QDs). First, a general infinite-mass boundary condition is derived and applied to calculate the electron and hole energy levels of a circular QD in both the absence and presence of a perpendicular magnetic field. Our analytical results for the energy spectra agree with those obtained by using the tight-binding model, where a TLG QD is surrounded by a staggered potential. Our findings show that (i ) the energy spectrum exhibits intervalley symmetry EKe(m ) =-EK'h(m ) for the electron (e) and hole (h) states, where m is the angular momentum quantum number, (i i ) the zero-energy Landau level (LL) is formed by the magnetic states with m ⩽0 for both Dirac valleys, that is different from monolayer and bilayer graphene QD with infinite-mass potential in which only one of the cones contributes, and (i i i ) groups of three quantum Hall edge states in the tight-binding magnetic spectrum approach the zero LL, which results from the layer symmetry in TLG QDs.

  6. Density and energy level of a deep-level Mg acceptor in 4H-SiC

    NASA Astrophysics Data System (ADS)

    Matsuura, Hideharu; Morine, Tatsuya; Nagamachi, Shinji

    2015-01-01

    Reliably determining the densities and energy levels of deep-level dominant acceptors in heavily doped wide-band-gap semiconductors has been a topic of recent discussion. In these discussions, the focus is on both Hall scattering factors for holes and distribution functions for acceptors. Mg acceptor levels in 4H-SiC seem to be deep, and so here the electrical properties of Mg-implanted 4H-SiC layers are studied by measuring Hall effects. The obtained Hall scattering factors are not reliable because they drop to less than 0.5 at high measurement temperatures. Moreover, the Fermi-Dirac distribution function is unsuitable for examining Mg acceptors because the obtained acceptor density is much higher than the concentration of implanted Mg atoms. However, by using a distribution function that includes the influence of the excited states of a deep-level acceptor, the density and energy level of Mg acceptors can be reliably determined.

  7. Black Holes

    NASA Astrophysics Data System (ADS)

    Luminet, Jean-Pierre

    1992-09-01

    Foreword to the French edition; Foreword to the English edition; Acknowledgements; Part I. Gravitation and Light: 1. First fruits; 2. Relativity; 3. Curved space-time; Part II. Exquisite Corpses: 4. Chronicle of the twilight years; 5. Ashes and diamonds; 6. Supernovae; 7. Pulsars; 8. Gravitation triumphant; Part III. Light Assassinated: 9. The far horizon; 10. Illuminations; 11. A descent into the maelstrom; 12. Map games; 13. The black hole machine; 14. The quantum black hole; Part IV. Light Regained: 15. Primordial black holes; 16. The zoo of X-ray stars; 17. Giant black holes; 18. Gravitational light; 19. The black hole Universe; Appendices; Bibliography; Name index; Subject index.

  8. Alignment of electronic energy levels at electrochemical interfaces.

    PubMed

    Cheng, Jun; Sprik, Michiel

    2012-08-28

    The position of electronic energy levels in a phase depends on the surface potentials at its boundaries. Bringing two phases in contact at an interface will alter the surface potentials shifting the energy levels relative to each other. Calculating such shifts for electrochemical interfaces requires a combination of methods from computational surface science and physical chemistry. The problem is closely related to the computation of potentials of electrochemically inactive electrodes. These so-called ideally polarizable interfaces are impossible to cross for electrons. In this perspective we review two density functional theory based methods that have been developed for this purpose, the workfunction method and the hydrogen insertion method. The key expressions of the two methods are derived from the formal theory of absolute electrode potentials. As an illustration of the workfunction method we review the computation of the potential of zero charge of the Pt(111)-water interface as recently published by a number of groups. The example of the hydrogen insertion method is from our own work on the rutile TiO(2)(110)-water interface at the point of zero proton charge. The calculations are summarized in level diagrams aligning the electronic energy levels of the solid electrode (Fermi level of the metal, valence band maximum and conduction band minimum of the semiconductor) to the band edges of liquid water and the standard potential for the reduction of the hydroxyl radical. All potentials are calculated at the same level of density functional theory using the standard hydrogen electrode as common energy reference. Comparison to experiment identifies the treatment of the valence band of water as a potentially dangerous source of error for application to electrocatalysis and photocatalysis.

  9. Accurate energy levels for singly ionized platinum (Pt II)

    NASA Technical Reports Server (NTRS)

    Reader, Joseph; Acquista, Nicolo; Sansonetti, Craig J.; Engleman, Rolf, Jr.

    1988-01-01

    New observations of the spectrum of Pt II have been made with hollow-cathode lamps. The region from 1032 to 4101 A was observed photographically with a 10.7-m normal-incidence spectrograph. The region from 2245 to 5223 A was observed with a Fourier-transform spectrometer. Wavelength measurements were made for 558 lines. The uncertainties vary from 0.0005 to 0.004 A. From these measurements and three parity-forbidden transitions in the infrared, accurate values were determined for 28 even and 72 odd energy levels of Pt II.

  10. Charge retention in quantized energy levels of nanocrystals

    NASA Astrophysics Data System (ADS)

    Dâna, Aykutlu; Akça, İmran; Ergun, Orçun; Aydınlı, Atilla; Turan, Raşit; Finstad, Terje G.

    2007-04-01

    Understanding charging mechanisms and charge retention dynamics of nanocrystal (NC) memory devices is important in optimization of device design. Capacitance spectroscopy on PECVD grown germanium NCs embedded in a silicon oxide matrix was performed. Dynamic measurements of discharge dynamics are carried out. Charge decay is modelled by assuming storage of carriers in the ground states of NCs and that the decay is dominated by direct tunnelling. Discharge rates are calculated using the theoretical model for different NC sizes and densities and are compared with experimental data. Experimental results agree well with the proposed model and suggest that charge is indeed stored in the quantized energy levels of the NCs.

  11. A new defect chemistry model for Nb-doped SrCoO2.5+δ: The role of oxygen interstitials and delocalized-to-localized electron holes

    NASA Astrophysics Data System (ADS)

    Wang, Jie; Jin, Xinfang; Huang, Kevin

    2017-02-01

    A new defect chemistry model featuring oxygen interstitials (OI") and delocalized-to-localized d-electron holes (CoCo·) as point defects is demonstrated under a perfect Brownmillerite SrCoO2.5 reference framework to elucidate transport properties of Nb-doped SrCoO2.5+δ (SCN) system over a range of partial pressure of oxygen (Po2) and temperature (T). With this new defect chemistry model, the electronic conductivity behaviors with T and Po2 can be well interpreted by the change in concentration of d-electron holes migrating with a constant mobility. The important concentration contours of electron holes, excess electrons and oxygen interstitials are mapped out on the T-Po2 domain, from which hole-concentration and conductivity under iso-stoichiometry are reconstructed. The partial/integral molar thermodynamic properties and thermodynamic factor of the SCN solid solution are also determined. A transitional delocalized-to-localized hole-transport mechanism with decreasing oxygen stoichiometry is discussed based on p=p(T) obtained under constant oxygen stoichiometry.

  12. Charge Transfer, Energy-level ''Lineup'' and Transmission in Molecular Electronic Devices

    NASA Astrophysics Data System (ADS)

    Xue, Yongqiang; Datta, Supriyo; Ratner, Mark

    2001-03-01

    There has been strong interest and significant progress in measuring electron transport through single molecules, due to their potential use in future molecular nanotechnology. Such molecular electronic devices usually involve the adsorption of single or a small group of molecules onto two large metallic electrodes. Understanding the electronic property of such metal-molecule-metal systems at equilibrium therefore provides the starting point for understanding their property under nonzero bias. We present first-principle based calculation of some equilibrium properties of the molecular device formed by a phenyldithiolate molecule bridging two gold electrodes, i.e., charge transfer, energy-level ''lineup'' and transmission. In contrast to previous works, we have used local-spin-density-functional theory with a Gaussian-type orbital basis, which not only allows us to use established techniques in molecular electronic structure theory but also to rationalize the result of computation in terms of the familiar language of bonding and orbital interactions in chemistry. We show that significant charge transfer from the metal to the molecule occurs, involving mostly the end sulfur atoms and localized in the interfacial region. Such charge transfer increases the electrostatic potential in the molecule thus changing the energy level structure and the corresponding charge distribution within the molecule. The interaction between the resulting molecular orbitals and the surface metal states determines the lineup of molecular levels relative to the metal Fermi-level and the transmission through the molecule. Our work also points to the importance of interface ''engineering'' for controlling the charge transfer and therefore the energy-level ''lineup'' in molecular electronic devices.

  13. Energy levels and radiative rates for transitions in Mo XV

    NASA Astrophysics Data System (ADS)

    El-Sayed, F.; Attia, S. M.

    2017-07-01

    Energy levels, wavelengths, transition probabilities, oscillator strengths, line strengths, and lifetimes have been calculated for transitions among the fine-structure levels belonging to the (1s22s22p6)3s23p63d10, 3s23p63d94l, 3s23p53d104l, and 3s3p63d104l (l = s, p, d, f) configurations of the Ni-like Molybdenum, Mo XV. The results for electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) transitions among the lowest levels of Mo XV have been reported and compared with available NIST results.

  14. High-Efficiency Perovskite Quantum-Dot Light-Emitting Devices by Effective Washing Process and Interfacial Energy Level Alignment.

    PubMed

    Chiba, Takayuki; Hoshi, Keigo; Pu, Yong-Jin; Takeda, Yuya; Hayashi, Yukihiro; Ohisa, Satoru; Kawata, So; Kido, Junji

    2017-05-31

    All inorganic perovskites quantum dots (PeQDs) have attracted much attention for used in thin film display applications and solid-state lighting applications, owing to their narrow band emission with high photoluminescence quantum yields (PLQYs), color tunability, and solution processability. Here, we fabricated low-driving-voltage and high-efficiency CsPbBr3 PeQDs light-emitting devices (PeQD-LEDs) using a PeQDs washing process with an ester solvent containing butyl acetate (AcOBu) to remove excess ligands from the PeQDs. The CsPbBr3 PeQDs film washed with AcOBu exhibited a PLQY of 42%, and a narrow PL emission with a full width at half-maximum of 19 nm. We also demonstrated energy level alignment of the PeQD-LED in order to achieve effective hole injection into PeQDs from the adjacent hole injection layer. The PeQD-LED with AcOBu-washed PeQDs exhibited a maximum power efficiency of 31.7 lm W(-1) and EQE of 8.73%. Control of the interfacial PeQDs through ligand removal and energy level alignment in the device structure are promising methods for obtaining high PLQYs in film state and high device efficiency.

  15. Energy level spacing distribution at the quantum Hall transition

    NASA Astrophysics Data System (ADS)

    Roemer, Rudolf A.; Cain, Philipp; Raikh, Mikhail E.; Schreiber, Michael

    2002-03-01

    We apply the renormalization group (RG) approach to study the energy level statistics at the integer quantum Hall transition. Within the RG approach the macroscopic array of saddle points of the Chalker-Coddington network is replaced by a fragment consisting of only five saddle points. Previously we have demonstrated that the RG approach reproduces the distribution of the power transmission coefficients at the transition, P(T), with very high accuracy.(P. Cain, M.E. Raikh, R.A. Roemer, M. Schreiber, Phys. Rev. B 64), 235326-9 (2001). To assess the level statistics we analyze the phases of the transmission coefficients. We find that, at the transition, the level spacing distribution (LSD) is close to that for the unitary ensemble with well-pronounced level repulsion. We emphasize that a metal-like LSD emerges when the fixed point distribution P(T) is used. We check that away from the transition the LSD crosses over towards the Poisson distribution.

  16. Optically switchable transistor via energy-level phototuning in a bicomponent organic semiconductor.

    PubMed

    Orgiu, Emanuele; Crivillers, Núria; Herder, Martin; Grubert, Lutz; Pätzel, Michael; Frisch, Johannes; Pavlica, Egon; Duong, Duc T; Bratina, Gvido; Salleo, Alberto; Koch, Norbert; Hecht, Stefan; Samorì, Paolo

    2012-06-24

    Organic semiconductors are suitable candidates for printable, flexible and large-area electronics. Alongside attaining an improved device performance, to confer a multifunctional nature to the employed materials is key for organic-based logic applications. Here we report on the engineering of an electronic structure in a semiconducting film by blending two molecular components, a photochromic diarylethene derivative and a poly(3-hexylthiophene) (P3HT) matrix, to attain phototunable and bistable energy levels for the P3HT's hole transport. As a proof-of-concept we exploited this blend as a semiconducting material in organic thin-film transistors. The device illumination at defined wavelengths enabled reversible tuning of the diarylethene's electronic states in the blend, which resulted in modulation of the output current. The device photoresponse was found to be in the microsecond range, and thus on a technologically relevant timescale. This modular blending approach allows for the convenient incorporation of various molecular components, which opens up perspectives on multifunctional devices and logic circuits.

  17. The energy level alignment at the CH3NH3PbI3/pentacene interface

    NASA Astrophysics Data System (ADS)

    Ji, Gengwu; Zhao, Bin; Song, Fei; Zheng, Guanhaojie; Zhang, Xiaonan; Shen, Kongchao; Yang, Yingguo; Chen, Shi; Gao, Xingyu

    2017-01-01

    Pentacene thin film on CH3NH3PbI3 was studied by in-situ X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy to determine their interfacial energy level alignment. A 0.2 eV downward band bending together with a 0.1 eV interfacial dipole was found at the pentacene side, whereas there was no band bending found at the CH3NH3PbI3 side. The offset between CH3NH3PbI3 Valance Band Maximum (VBM) and pentacene Highest Occupied Molecular Orbital (HOMO) and that between CH3NH3PbI3 Conduction Band Minimum (CBM) and pentacene Lowest Unoccupied Molecular Orbital (LUMO) was determined to be 0.7 and 1.35 eV, respectively. The band alignment at this interface is favor of efficient hole transfer, which suggests pentacene as a viable HTL candidate to be explored in perovskite solar cells.

  18. Energy levels and transition probability matrix elements of ruby for maser applications

    NASA Technical Reports Server (NTRS)

    Berwin, R. W.

    1971-01-01

    Program computes fine structure energy levels of ruby as a function of magnetic field. Included in program is matrix formulation, each row of which contains a magnetic field and four corresponding energy levels.

  19. Sleep and brain energy levels: ATP changes during sleep.

    PubMed

    Dworak, Markus; McCarley, Robert W; Kim, Tae; Kalinchuk, Anna V; Basheer, Radhika

    2010-06-30

    Sleep is one of the most pervasive biological phenomena, but one whose function remains elusive. Although many theories of function, indirect evidence, and even common sense suggest sleep is needed for an increase in brain energy, brain energy levels have not been directly measured with modern technology. We here report that ATP levels, the energy currency of brain cells, show a surge in the initial hours of spontaneous sleep in wake-active but not in sleep-active brain regions of rat. The surge is dependent on sleep but not time of day, since preventing sleep by gentle handling of rats for 3 or 6 h also prevents the surge in ATP. A significant positive correlation was observed between the surge in ATP and EEG non-rapid eye movement delta activity (0.5-4.5 Hz) during spontaneous sleep. Inducing sleep and delta activity by adenosine infusion into basal forebrain during the normally active dark period also increases ATP. Together, these observations suggest that the surge in ATP occurs when the neuronal activity is reduced, as occurs during sleep. The levels of phosphorylated AMP-activated protein kinase (P-AMPK), well known for its role in cellular energy sensing and regulation, and ATP show reciprocal changes. P-AMPK levels are lower during the sleep-induced ATP surge than during wake or sleep deprivation. Together, these results suggest that sleep-induced surge in ATP and the decrease in P-AMPK levels set the stage for increased anabolic processes during sleep and provide insight into the molecular events leading to the restorative biosynthetic processes occurring during sleep.

  20. Real-space localization and quantification of hole distribution in chain-ladder Sr3Ca11Cu24O41 superconductor.

    PubMed

    Bugnet, Matthieu; Löffler, Stefan; Hawthorn, David; Dabkowska, Hanna A; Luke, Graeme M; Schattschneider, Peter; Sawatzky, George A; Radtke, Guillaume; Botton, Gianluigi A

    2016-03-01

    Understanding the physical properties of the chain-ladder Sr3Ca11Cu24O41 hole-doped superconductor has been precluded by the unknown hole distribution among chains and ladders. We use electron energy-loss spectrometry (EELS) in a scanning transmission electron microscope (STEM) at atomic resolution to directly separate the contributions of chains and ladders and to unravel the hole distribution from the atomic scale variations of the O-K near-edge structures. The experimental data unambiguously demonstrate that most of the holes lie within the chain layers. A quantitative interpretation supported by inelastic scattering calculations shows that about two holes are located in the ladders, and about four holes in the chains, shedding light on the electronic structure of Sr3Ca11Cu24O41. Combined atomic resolution STEM-EELS and inelastic scattering calculations is demonstrated as a powerful approach toward a quantitative understanding of the electronic structure of cuprate superconductors, offering new possibilities for elucidating their physical properties.

  1. Real-space localization and quantification of hole distribution in chain-ladder Sr3Ca11Cu24O41 superconductor

    PubMed Central

    Bugnet, Matthieu; Löffler, Stefan; Hawthorn, David; Dabkowska, Hanna A.; Luke, Graeme M.; Schattschneider, Peter; Sawatzky, George A.; Radtke, Guillaume; Botton, Gianluigi A.

    2016-01-01

    Understanding the physical properties of the chain-ladder Sr3Ca11Cu24O41 hole-doped superconductor has been precluded by the unknown hole distribution among chains and ladders. We use electron energy-loss spectrometry (EELS) in a scanning transmission electron microscope (STEM) at atomic resolution to directly separate the contributions of chains and ladders and to unravel the hole distribution from the atomic scale variations of the O-K near-edge structures. The experimental data unambiguously demonstrate that most of the holes lie within the chain layers. A quantitative interpretation supported by inelastic scattering calculations shows that about two holes are located in the ladders, and about four holes in the chains, shedding light on the electronic structure of Sr3Ca11Cu24O41. Combined atomic resolution STEM-EELS and inelastic scattering calculations is demonstrated as a powerful approach toward a quantitative understanding of the electronic structure of cuprate superconductors, offering new possibilities for elucidating their physical properties. PMID:27051872

  2. A rotamer energy level study of sulfuric acid

    NASA Astrophysics Data System (ADS)

    Partanen, Lauri; Pesonen, Janne; Sjöholm, Elina; Halonen, Lauri

    2013-10-01

    It is a common approach in quantum chemical calculations for polyatomic molecules to rigidly constrain some of the degrees of freedom in order to make the calculations computationally feasible. However, the presence of the rigid constraints also affects the kinetic energy operator resulting in the frozen mode correction, originally derived by Pesonen [J. Chem. Phys. 139, 144310 (2013)]. In this study, we compare the effects of this correction to several different approximations to the kinetic energy operator used in the literature, in the specific case of the rotamer energy levels of sulfuric acid. The two stable conformers of sulfuric acid are connected by the rotations of the O-S-O-H dihedral angles and possess C2 and Cs symmetry in the order of increasing energy. Our results show that of the models tested, the largest differences with the frozen mode corrected values were obtained by simply omitting the passive degrees of freedom. For the lowest 17 excited states, this inappropriate treatment introduces an increase of 9.6 cm-1 on average, with an increase of 8.7 cm-1 in the zero-point energies. With our two-dimensional potential energy surface calculated at the CCSD(T)-F12a/VDZ-F12 level, we observe a radical shift in the density of states compared to the harmonic picture, combined with an increase in zero point energy. Thus, we conclude that the quantum mechanical inclusion of the different conformers of sulfuric acid have a significant effect on its vibrational partition function, suggesting that it will also have an impact on the computational values of the thermodynamic properties of any reactions where sulfuric acid plays a role. Finally, we also considered the effect of the anharmonicities for the other vibrational degrees of freedom with a VSCF-calculation at the DF-MP2-F12/VTZ-F12 level of theory but found that the inclusion of the other conformer had the more important effect on the vibrational partition function.

  3. A rotamer energy level study of sulfuric acid.

    PubMed

    Partanen, Lauri; Pesonen, Janne; Sjöholm, Elina; Halonen, Lauri

    2013-10-14

    It is a common approach in quantum chemical calculations for polyatomic molecules to rigidly constrain some of the degrees of freedom in order to make the calculations computationally feasible. However, the presence of the rigid constraints also affects the kinetic energy operator resulting in the frozen mode correction, originally derived by Pesonen [J. Chem. Phys. 139, 144310 (2013)]. In this study, we compare the effects of this correction to several different approximations to the kinetic energy operator used in the literature, in the specific case of the rotamer energy levels of sulfuric acid. The two stable conformers of sulfuric acid are connected by the rotations of the O-S-O-H dihedral angles and possess C2 and Cs symmetry in the order of increasing energy. Our results show that of the models tested, the largest differences with the frozen mode corrected values were obtained by simply omitting the passive degrees of freedom. For the lowest 17 excited states, this inappropriate treatment introduces an increase of 9.6 cm(-1) on average, with an increase of 8.7 cm(-1) in the zero-point energies. With our two-dimensional potential energy surface calculated at the CCSD(T)-F12a/VDZ-F12 level, we observe a radical shift in the density of states compared to the harmonic picture, combined with an increase in zero point energy. Thus, we conclude that the quantum mechanical inclusion of the different conformers of sulfuric acid have a significant effect on its vibrational partition function, suggesting that it will also have an impact on the computational values of the thermodynamic properties of any reactions where sulfuric acid plays a role. Finally, we also considered the effect of the anharmonicities for the other vibrational degrees of freedom with a VSCF-calculation at the DF-MP2-F12/VTZ-F12 level of theory but found that the inclusion of the other conformer had the more important effect on the vibrational partition function.

  4. Brane holes

    SciTech Connect

    Frolov, Valeri P.; Mukohyama, Shinji

    2011-02-15

    The aim of this paper is to demonstrate that in models with large extra dimensions under special conditions one can extract information from the interior of 4D black holes. For this purpose we study an induced geometry on a test brane in the background of a higher-dimensional static black string or a black brane. We show that, at the intersection surface of the test brane and the bulk black string or brane, the induced metric has an event horizon, so that the test brane contains a black hole. We call it a brane hole. When the test brane moves with a constant velocity V with respect to the bulk black object, it also has a brane hole, but its gravitational radius r{sub e} is greater than the size of the bulk black string or brane r{sub 0} by the factor (1-V{sup 2}){sup -1}. We show that bulk ''photon'' emitted in the region between r{sub 0} and r{sub e} can meet the test brane again at a point outside r{sub e}. From the point of view of observers on the test brane, the events of emission and capture of the bulk photon are connected by a spacelike curve in the induced geometry. This shows an example in which extra dimensions can be used to extract information from the interior of a lower-dimensional black object. Instead of the bulk black string or brane, one can also consider a bulk geometry without a horizon. We show that nevertheless the induced geometry on the moving test brane can include a brane hole. In such a case the extra dimensions can be used to extract information from the complete region of the brane-hole interior. We discuss thermodynamic properties of brane holes and interesting questions which arise when such an extra-dimensional channel for the information mining exists.

  5. Analytic energy-level densities of separable harmonic oscillators including approximate hindered rotor corrections

    NASA Astrophysics Data System (ADS)

    Döntgen, M.

    2016-09-01

    Energy-level densities are key for obtaining various chemical properties. In chemical kinetics, energy-level densities are used to predict thermochemistry and microscopic reaction rates. Here, an analytic energy-level density formulation is derived using inverse Laplace transformation of harmonic oscillator partition functions. Anharmonic contributions to the energy-level density are considered approximately using a literature model for the transition from harmonic to free motions. The present analytic energy-level density formulation for rigid rotor-harmonic oscillator systems is validated against the well-studied CO+O˙ H system. The approximate hindered rotor energy-level density corrections are validated against the well-studied H2O2 system. The presented analytic energy-level density formulation gives a basis for developing novel numerical simulation schemes for chemical processes.

  6. Kerr black hole thermodynamical fluctuations

    NASA Astrophysics Data System (ADS)

    Pavon, D.; Rubi, J. M.

    1985-04-01

    The near-equilibrium thermodynamical (TD) fluctuations of a massive rotating uncharged Kerr black hole immersed in a uniformly corotating radiation bath at its temperature are investigated theoretically, generalizing Schwarzschild-black-hole analysis of Pavon and Rubi(1983), based on Einstein fluctuation theory. The correlations for the energy and angular moment fluctuations and the second moments of the other TD parameters are obtained, and the generalized second law of black-hole TD and the Bekenstein (1975) interpretation of black-hole entropy are seen as functioning well in this case. A local-stability criterion and relation for TD equilibrium between the Kerr hole and its own radiation in the flat-space-time limit are derived, and a restriction between C and Lambda is deduced.

  7. Coronal Holes.

    PubMed

    Cranmer, Steven R

    Coronal holes are the darkest and least active regions of the Sun, as observed both on the solar disk and above the solar limb. Coronal holes are associated with rapidly expanding open magnetic fields and the acceleration of the high-speed solar wind. This paper reviews measurements of the plasma properties in coronal holes and how these measurements are used to reveal details about the physical processes that heat the solar corona and accelerate the solar wind. It is still unknown to what extent the solar wind is fed by flux tubes that remain open (and are energized by footpoint-driven wave-like fluctuations), and to what extent much of the mass and energy is input intermittently from closed loops into the open-field regions. Evidence for both paradigms is summarized in this paper. Special emphasis is also given to spectroscopic and coronagraphic measurements that allow the highly dynamic non-equilibrium evolution of the plasma to be followed as the asymptotic conditions in interplanetary space are established in the extended corona. For example, the importance of kinetic plasma physics and turbulence in coronal holes has been affirmed by surprising measurements from the UVCS instrument on SOHO that heavy ions are heated to hundreds of times the temperatures of protons and electrons. These observations point to specific kinds of collisionless Alfvén wave damping (i.e., ion cyclotron resonance), but complete theoretical models do not yet exist. Despite our incomplete knowledge of the complex multi-scale plasma physics, however, much progress has been made toward the goal of understanding the mechanisms ultimately responsible for producing the observed properties of coronal holes.

  8. Dialkylthio Substitution: An Effective Method to Modulate the Molecular Energy Levels of 2D-BDT Photovoltaic Polymers.

    PubMed

    Yao, Huifeng; Zhang, Hao; Ye, Long; Zhao, Wenchao; Zhang, Shaoqing; Hou, Jianhui

    2016-02-17

    Dialkylthio-substituted thienyl-benzodithiophene (BDT-DST) was designed and synthesized as a building block to modulate the molecular levels of the conjugated polymers, and three copolymers named PDST-BDD, PDST-TT and PDST-DPP were prepared and applied in polymer solar cells (PSCs). Theoretical calculations and electrochemical cyclic voltammetry (CV) measurement suggested that the dialkylthio group could decrease the molecular energy levels of the resulting polymers distinctly. The open-circuit voltage (VOC) of PSC devices based on PDST-BDD, PDST-TT, and PDST-DPP are as high as 1.0, 0.98, and 0.88 V, respectively, which are ∼0.15 V higher than those of the corresponding alky-substituted analogues. Moreover, the influence of the dialkylthio group on the absorption spectra, crystalline properties, hole mobilities, and blend morphologies of the polymers was also investigated. The results indicate that the dialkythio substitution is an effective method to modulate the molecular energy levels and that the BDT-DST unit has potential for constructing high-efficiency photovoltaic polymers.

  9. Energy level alignment and molecular conformation at rubrene/Ag interfaces: Impact of contact contaminations on the interfaces

    NASA Astrophysics Data System (ADS)

    Sinha, Sumona; Wang, C.-H.; Mukherjee, M.

    2017-07-01

    This paper addresses the impact of electrode contaminations on the interfacial energy level alignment, the molecular conformation, orientation and surface morphology deposited organic film at organic semiconductor/noble metal interfaces by varying of film thickness from sub-monolayer to multilayer, which currently draws significant attention with regard to its application in organic electronics. The UHV clean Ag and unclean Ag were employed as substrate whereas rubrene was used as an organic semiconducting material. The photoelectron spectroscopy (XPS and UPS) was engaged to investigate the evolution of interfacial energetics; polarization dependent near edge x-ray absorption fine structure spectroscopy (NEXAFS) was employed to understand the molecular conformation as well as orientation whereas atomic force microscopy (AFM) was used to investigate the surface morphologies of the films. The adventitious contamination layer was acted as a spacer layer between clean Ag substrate surface and rubrene molecular layer. As a consequence, hole injection barrier height, interface dipole as well as molecular-conformation, molecular-orientation and surface morphology of rubrene thin films were found to depend on the cleanliness of Ag substrate. The results have important inferences about the understanding of the impact of substrate contamination on the energy level alignment, the molecular conformation as well as orientation and surface morphology of deposited rubrene thin film at rubrene/Ag interfaces and are beneficial for the improvement of the device performance.

  10. Energy level alignment at the interface of NPB/HAT-CN/graphene for flexible organic light-emitting diodes

    NASA Astrophysics Data System (ADS)

    Oh, Eonseok; Park, Soohyung; Jeong, Junkyeong; Kang, Seong Jun; Lee, Hyunbok; Yi, Yeonjin

    2017-01-01

    Graphene is highly promising as an electrode for flexible optoelectronic devices due to its excellent conductivity and transparency. However, it is necessary to tailor its work function with a charge injection layer in order to obtain favorable energy level alignment for efficient charge injection. An adequate charge injection layer can only be chosen with the understanding of the interfacial electronic structure between a charge transport layer and an electrode. In this study, we investigated the energy level alignment of N,N‧-diphenyl-1,1‧-biphenyl-4,4‧-diamine (NPB)/hexaazatriphenylene hexacarbonitrile (HAT-CN)/graphene using in situ ultraviolet and X-ray photoelectron spectroscopy measurements. The effective work function of graphene was significantly increased by 0.94 eV by the HAT-CN hole injection layer (HIL) due to the interface dipole formation. In addition, the charge generation barrier (CGB) between NPB and HAT-CN, which plays a decisive role in charge injection efficiency with a charge generation HIL, was measured to be 0.66 eV. This CGB on graphene is the same as the CGBs on other electrodes, and smaller than that of the widely-used MoO3 HIL. Therefore, HAT-CN could be a promising HIL for efficient flexible organic light-emitting diodes with a graphene anode.

  11. Energy levels of isoelectronic impurities by large scale LDA calculations

    SciTech Connect

    Li, Jingbo; Wang, Lin-Wang

    2002-11-22

    Isoelectronic impurity states are localized states induced by stoichiometric single atom substitution in bulk semiconductor. Photoluminescence spectra indicate deep impurity levels of 0.5 to 0.9eV above the top of valence band for systems like: GaN:As, GaN:P, CdS:Te, ZnS:Te. Previous calculations based on small supercells seemingly confirmed these experimental results. However, the current ab initio calculations based on thousand atom supercells indicate that the impurity levels of the above systems are actually much shallower(0.04 to 0.23 eV), and these impurity levels should be compared with photoluminescence excitation spectra, not photoluminescence spectra.

  12. Binding energy levels of a slowly moving ion in dusty plasmas

    NASA Astrophysics Data System (ADS)

    Hu, Hongwei; Li, Fuli

    2013-02-01

    The near field electric potential of a slowly moving ion in complex plasmas is studied. We find that the potential consists of the Debye-Hückel potential, the wake potential, and the potential associated with charge fluctuations. The binding energy levels of the ion are calculated by use of the Ritz variation method. The results show that the binding energy levels are related to the magnetic quantum number m. The binding energy levels are affected by speed of the ion and dust grain number density. In contract to isolated ion or static ion in plasmas, the binding energy levels of the ion are pushed up and even become unbounded.

  13. Crystal field analysis of rare-earth ions energy levels in GaN

    NASA Astrophysics Data System (ADS)

    Stachowicz, M.; Kozanecki, A.; Ma, C.-G.; Brik, M. G.; Lin, J. Y.; Jiang, Hx; Zavada, J. M.

    2014-11-01

    Much effort has been put to achieve optoelectronic devices based on Er doped GaN, operating on the intra-4f-shell transitions of erbium. The key issue for good understanding of energy transfer mechanisms to Er and its luminescence properties is the position of Er3+ ions in the crystalline lattice of GaN. After doping, Er3+ ions are assumed to be placed in substitutional position for Ga3+ in GaN. Although Ga is positioned in high symmetry, tetrahedral [ErN4]9 - cluster, deviations from this after doping are impossible to avoid because of a large difference in ionic radii of Ga3+ (47 pm) and Er3+ (89 pm). In this work we report on crystal field analysis of Er ion energy levels in cubic and hexagonal GaN. It is shown that local symmetry of Er in cubic GaN is D2, whereas calculations reveal that in hexagonal GaN local symmetry is C3V. Some trends in crystal field parameters of trivalent lanthanides in hexagonal GaN are discussed.

  14. Rotating black hole hair

    NASA Astrophysics Data System (ADS)

    Gregory, Ruth; Kubizňák, David; Wills, Danielle

    2013-06-01

    A Kerr black hole sporting cosmic string hair is studied in the context of the abelian Higgs model vortex. It is shown that such a system displays much richer phenomenology than its static Schwarzschild or Reissner-Nordstrom cousins, for example, the rotation generates a near horizon `electric' field. In the case of an extremal rotating black hole, two phases of the Higgs hair are possible: large black holes exhibit standard hair, with the vortex piercing the event horizon. Small black holes on the other hand, exhibit a flux-expelled solution, with the gauge and scalar field remaining identically in their false vacuum state on the event horizon. This solution however is extremely sensitive to confirm numerically, and we conjecture that it is unstable due to a supperradiant mechanism similar to the Kerr-adS instability. Finally, we compute the gravitational back reaction of the vortex, which turns out to be far more nuanced than a simple conical deficit. While the string produces a conical effect, it is conical with respect to a local co-rotating frame, not with respect to the static frame at infinity.

  15. Enhanced optical output power by the silver localized surface plasmon coupling through side facets of micro-hole patterned InGaN/GaN light-emitting diodes.

    PubMed

    Lee, Kang Jea; Kim, Seung Hwan; Park, Ah Hyun; Lee, Seul Be; Lee, Gun Hee; Yang, Gye-Mo; Pham, Hai Dinh; Thu, Hoang Thi; Cuong, Tran Viet; Suh, Eun-Kyung

    2014-06-30

    Light extraction efficiency of GaN-based light emitting diodes were significantly enhanced using silver nanostructures incorporated in periodic micro-hole patterned multi quantum wells (MQWs). Our results show an enhancement of 60% in the wall-plug efficiency at an injection current of 100 mA when Ag nano-particles were deposited on side facet of MQWs passivated with SiO2. This improvement can be attributed to an increase in the spontaneous emission rate through resonance coupling between localized surface plasmons in Ag nano-particles and the excitons in MQWs.

  16. Hole dephasing caused by hole-hole interaction in a multilayered black phosphorus.

    PubMed

    Li, Lijun; Khan, Muhammad Atif; Lee, Yoontae; Lee, Inyeal; Yun, Sun Jin; Youn, Doo-Hyeb; Kim, Gil-Ho

    2017-09-26

    We study the magnetotransport of holes in a multilayered black phosphorus in a temperature range of 1.9 to 21.5 K. We observed a negative magnetoresistance at magnetic fields up to 1.5 T. This negative magetoresistance was analyzed by weak localization theory in diffusive regime. At the lowest temperature and the highest carrier density we found a phase coherence length of 48 nm. The linear temperature dependence of the dephasing rate shows that the hole-hole scattering processes with small energy transfer are the dominant contribution in breaking the carrier phase coherence.

  17. Molecular design of photovoltaic materials for polymer solar cells: toward suitable electronic energy levels and broad absorption.

    PubMed

    Li, Yongfang

    2012-05-15

    Bulk heterojunction (BHJ) polymer solar cells (PSCs) sandwich a blend layer of conjugated polymer donor and fullerene derivative acceptor between a transparent ITO positive electrode and a low work function metal negative electrode. In comparison with traditional inorganic semiconductor solar cells, PSCs offer a simpler device structure, easier fabrication, lower cost, and lighter weight, and these structures can be fabricated into flexible devices. But currently the power conversion efficiency (PCE) of the PSCs is not sufficient for future commercialization. The polymer donors and fullerene derivative acceptors are the key photovoltaic materials that will need to be optimized for high-performance PSCs. In this Account, I discuss the basic requirements and scientific issues in the molecular design of high efficiency photovoltaic molecules. I also summarize recent progress in electronic energy level engineering and absorption spectral broadening of the donor and acceptor photovoltaic materials by my research group and others. For high-efficiency conjugated polymer donors, key requirements are a narrower energy bandgap (E(g)) and broad absorption, relatively lower-lying HOMO (the highest occupied molecular orbital) level, and higher hole mobility. There are three strategies to meet these requirements: D-A copolymerization for narrower E(g) and lower-lying HOMO, substitution with electron-withdrawing groups for lower-lying HOMO, and two-dimensional conjugation for broad absorption and higher hole mobility. Moreover, better main chain planarity and less side chain steric hindrance could strengthen π-π stacking and increase hole mobility. Furthermore, the molecular weight of the polymers also influences their photovoltaic performance. To produce high efficiency photovoltaic polymers, researchers should attempt to increase molecular weight while maintaining solubility. High-efficiency D-A copolymers have been obtained by using benzodithiophene (BDT), dithienosilole

  18. Dumb holes: analogues for black holes.

    PubMed

    Unruh, W G

    2008-08-28

    The use of sonic analogues to black and white holes, called dumb or deaf holes, to understand the particle production by black holes is reviewed. The results suggest that the black hole particle production is a low-frequency and low-wavenumber process.

  19. Energy Levels and the de Broglie Relationship for High School Students

    ERIC Educational Resources Information Center

    Gianino, Concetto

    2008-01-01

    In this article, four examples of possible lessons on energy levels for high school are described: a particle in a box, a finite square well, the hydrogen atom and a harmonic oscillator. The energy levels are deduced through the use of the steady-state condition and the de Broglie relationship. In particular, the harmonic oscillator energy levels…

  20. Energy Levels and the de Broglie Relationship for High School Students

    ERIC Educational Resources Information Center

    Gianino, Concetto

    2008-01-01

    In this article, four examples of possible lessons on energy levels for high school are described: a particle in a box, a finite square well, the hydrogen atom and a harmonic oscillator. The energy levels are deduced through the use of the steady-state condition and the de Broglie relationship. In particular, the harmonic oscillator energy levels…

  1. Measurements of ultrasonic pulse arrival time and energy level variations produced by propagation through abdominal wall.

    PubMed

    Hinkelman, L M; Liu, D L; Metlay, L A; Waag, R C

    1994-01-01

    Ultrasonic pulse arrival time and energy level variations introduced by propagation through human abdominal wall specimens have been measured. A hemispheric transducer transmitted an ultrasonic pulse that was detected by a linear array transducer after propagation through an abdominal wall section. The array was translated in the elevation direction to collect data over a two-dimensional aperture. Differences in arrival time and energy level between the measured waveforms and calculated references that account for geometric delay and spreading were found. Plots of waveforms compensated for geometric path, maps of time delay differences and energy level fluctuations, and statistics derived from these for water paths and tissue paths characterize the measurement system and describe the time delay differences and energy level fluctuations caused by 14 different human abdominal wall specimens. Repeated measurements using the same specimens show that individual tissue path measurements are reproducible, the results depend on specimen position, and frozen storage of a specimen for three months does not appear to alter the time delay differences and energy level fluctuations produced by the specimen. Comparison of measurements at room and body temperature indicates that appreciably higher time delay differences occur at body temperature while energy level fluctuations and time delay difference patterns are less affected. For the 14 different abdominal wall specimens, the rms time delay differences and energy level fluctuations have average values of 43.0 ns and 3.30 dB, respectively, and the associated correlation lengths of the time delay differences and energy level fluctuations are 7.90 and 2.28 mm, respectively. The spatial patterns of time delay difference and energy level fluctuation in the reception plane appear largely uncorrelated, although some background variations in energy level fluctuation are similar to features in time delay difference maps. The results

  2. Plasma electron hole kinematics. I. Momentum conservation

    SciTech Connect

    Hutchinson, I. H.; Zhou, C.

    2016-08-15

    We analyse the kinematic properties of a plasma electron hole: a non-linear self-sustained localized positive electric potential perturbation, trapping electrons, which behaves as a coherent entity. When a hole accelerates or grows in depth, ion and electron plasma momentum is changed both within the hole and outside, by an energization process we call jetting. We present a comprehensive analytic calculation of the momentum changes of an isolated general one-dimensional hole. The conservation of the total momentum gives the hole's kinematics, determining its velocity evolution. Our results explain many features of the behavior of hole speed observed in numerical simulations, including self-acceleration at formation, and hole pushing and trapping by ion streams.

  3. Superconducting electron and hole lenses

    NASA Astrophysics Data System (ADS)

    Cheraghchi, H.; Esmailzadeh, H.; Moghaddam, A. G.

    2016-06-01

    We show how a superconducting region (S), sandwiched between two normal leads (N), in the presence of barriers, can act as a lens for propagating electron and hole waves by virtue of the so-called crossed Andreev reflection (CAR). The CAR process, which is equivalent to Cooper pair splitting into two N electrodes, provides a unique possibility of constructing entangled electrons in solid state systems. When electrons are locally injected from an N lead, due to the CAR and normal reflection of quasiparticles by the insulating barriers at the interfaces, sequences of electron and hole focuses are established inside another N electrode. This behavior originates from the change of momentum during electron-hole conversion beside the successive normal reflections of electrons and holes due to the barriers. The focusing phenomena studied here are fundamentally different from the electron focusing in other systems, such as graphene p-n junctions. In particular, due to the electron-hole symmetry of the superconducting state, the focusing of electrons and holes is robust against thermal excitations. Furthermore, the effects of the superconducting layer width, the injection point position, and barrier strength are investigated on the focusing behavior of the junction. Very intriguingly, it is shown that by varying the barrier strength, one can separately control the density of electrons or holes at the focuses.

  4. Energy-level and optical properties of nitrogen doped TiO2: An experimental and theoretical study

    NASA Astrophysics Data System (ADS)

    González-Borrero, P. P.; Bernabé, H. S.; Astrath, N. G. C.; Bento, A. C.; Baesso, M. L.; Castro Meira, M. V.; de Almeida, J. S.; Ferreira da Silva, A.

    2011-11-01

    Photoacoustic spectroscopy was used to study nitrogen-doped titanium dioxide film. The energy positions of defect and impurity centre levels are reported. The energy levels were obtained using the excitation method and the mechanisms of the photoacoustic signal generation are discussed. The visible light absorption of the yellow film was explained considering electronic transitions between localized states within the band gap and the transitions from these states into the conduction band. Moreover, first principles calculations revealed that nitrogen doping and oxygen vacancies in titanium dioxide induce defect levels within the gap which account for the absorption in the visible light.

  5. Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

    NASA Technical Reports Server (NTRS)

    Liechty, Derek S.; Lewis, Mark

    2010-01-01

    A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

  6. Modelling energy level alignment at organic interfaces and density functional theory.

    PubMed

    Flores, F; Ortega, J; Vázquez, H

    2009-10-21

    incorporates self-interaction corrections and polarization effects in the organic energy levels. Hybrid potentials combined with conventional DFT represent, probably, the best alternative for having a simple and accurate approach for analyzing organic interfaces. The problem then is to find an appropriate one for both the metal and the organic material in a plane-wave formulation; we show, however, how to overcome this difficulty using a local-orbital basis formulation. As examples of these alternatives, we present some DFT-calculations for several organic interfaces, using either the scissor operator or a hybrid potential, which can be interpreted in terms of the unified IDIS-model.

  7. On the Thermal Property of Arbitrarily Accelerating Charged Black Hole with a New Tortoise Coordinate Transformation

    NASA Astrophysics Data System (ADS)

    Zhenfeng, Niu; Wenbiao, Liu

    2006-07-01

    After a new tortoise coordinate transformation is adopted, the entropy and non-thermal radiation of an arbitrarily accelerating charged black hole are discussed as an example of non-stationary black holes. The same cut-off relation is chosen as static case, which is independent of space-time, and then the entropy of the non-stationary black hole is also proportional to the area of its event horizon. Meanwhile, the crossing of the particle energy levels near the event horizon is studied, the representative of the maximum value of the crossing energy levels is the same as the usual tortoise coordinate transformation.

  8. Ion distributions in RC at different energy levels retrieved from TWINS ENA images by voxel CT tech

    NASA Astrophysics Data System (ADS)

    Ma, S. Y.; McComas, David; Xu, Liang; Goldstein, Jerry; Yan, Wei-Nan

    2012-07-01

    Distributions of energetic ions in the RC regions in different energy levels are retrieved by using 3-D voxel CT inversion method from ENA measurements onboard TWINS constellation during the main phase of a moderate geomagnetic storm. It is assumed that the ion flux distribution in the RC is anisotropic in regard to pitch angle which complies with the adiabatic invariance of the magnetic moment as ion moving in the dipole magnetic mirror field. A semi-empirical model of the RC ion distribution in the magnetic equator is quoted to form the ion flux distribution shape at off-equatorial latitudes by mapping. For the concerned time interval, the two satellites of the TWINS flying in double Molnia orbits were located in nearly the same meridian plane at vantage points widely separated in magnetic local time, and both more than 5 RE geocentric distance from the Earth. The ENA data used in this study are differential fluxes averaged over 12 sweeps (corresponding to an interval of 16 min.) at different energy levels ranging from about 1 to 100 keV. The retrieved ion distributions show that in total the main part of the RC is located in the region with L value larger than 4, tending to increase at larger L. It reveals that there are two distinct dominant energy bands at which the ion fluxes are significantly larger magnitude than at other energy levels, one is at lower level around 2 keV and the other at higher level of 30-100 keV. Furthermore, it is very interesting that the peak fluxes of the RC ions at the two energy bands occurred in different magnetic local time, low energy ions appear preferentially in after midnight, while the higher energy ions mainly distributed around midnight and pre-midnight. This new profile is worthy of further study and needs to be demonstrated by more cases.

  9. Energy level of the nitrogen dangling bond in amorphous silicon nitride

    SciTech Connect

    Warren, W.L. ); Kanicki, J. ); Robertson, J. ); Lenahan, P.M. )

    1991-09-30

    The composition dependence and room-temperature metastability of the paramagnetic nitrogen dangling-bond center is amorphous silicon nitride suggest that its energy level lies close to the N {ital p}{pi} states, in agreement with theoretical calculations.

  10. Energy-level alignment at interfaces between manganese phthalocyanine and C60.

    PubMed

    Waas, Daniel; Rückerl, Florian; Knupfer, Martin; Büchner, Bernd

    2017-01-01

    We have used photoelectron spectroscopy to determine the energy-level alignment at organic heterojunctions made of manganese phthalocyanine (MnPc) and the fullerene C60. We show that this energy-level alignment depends upon the preparation sequence, which is explained by different molecular orientations. Moreover, our results demonstrate that MnPc/C60 interfaces are hardly suited for application in organic photovoltaic devices, since the energy difference of the two lowest unoccupied molecular orbitals (LUMOs) is rather small.

  11. Micro black holes and the democratic transition

    NASA Astrophysics Data System (ADS)

    Dvali, Gia; Pujolàs, Oriol

    2009-03-01

    Unitarity implies that the evaporation of microscopic quasiclassical black holes cannot be universal in different particle species. This creates a puzzle, since it conflicts with the thermal nature of quasiclassical black holes, according to which all of the species should see the same horizon and be produced with the same Hawking temperatures. We resolve this puzzle by showing that for the microscopic black holes, on top of the usual quantum evaporation time, there is a new time scale which characterizes a purely classical process during which the black hole loses the ability to differentiate among the species and becomes democratic. We demonstrate this phenomenon in a well-understood framework of large extra dimensions, with a number of parallel branes. An initially nondemocratic black hole is the one localized on one of the branes, with its high-dimensional Schwarzschild radius being much shorter than the interbrane distance. Such a black hole seemingly cannot evaporate into the species localized on the other branes that are beyond its reach. We demonstrate that in reality the system evolves classically in time, in such a way that the black hole accretes the neighboring branes. The end result is a completely democratic static configuration, in which all of the branes share the same black hole and all of the species are produced with the same Hawking temperature. Thus, just like their macroscopic counterparts, the microscopic black holes are universal bridges to the hidden sector physics.

  12. Stationary black holes: large D analysis

    NASA Astrophysics Data System (ADS)

    Suzuki, Ryotaku; Tanabe, Kentaro

    2015-09-01

    We consider the effective theory of large D stationary black holes. By solving the Einstein equations with a cosmological constant using the 1 /D expansion in near zone of the black hole we obtain the effective equation for the stationary black hole. The effective equation describes the Myers-Perry black hole, bumpy black holes and, possibly, the black ring solution as its solutions. In this effective theory the black hole is represented as an embedded membrane in the background, e.g., Minkowski or Anti-de Sitter spacetime and its mean curvature is given by the surface gravity redshifted by the background gravitational field and the local Lorentz boost. The local Lorentz boost property of the effective equation is observed also in the metric itself. In fact we show that the leading order metric of the Einstein equation in the 1 /D expansion is generically regarded as a Lorentz boosted Schwarzschild black hole. We apply this Lorentz boost property of the stationary black hole solution to solve perturbation equations. As a result we obtain an analytic formula for quasinormal modes of the singly rotating Myers-Perry black hole in the 1 /D expansion.

  13. Counterintuitive Coulomb hole around the bond midplane.

    PubMed

    Wang, Jian; Kim, Kwang S; Baerends, Evert Jan

    2010-05-28

    The Coulomb hole does not have its largest depth around an electron in or near the bond midplane. It splits into two parts, localized on both nuclear sites forming the bond. Even counterintuitive positive values of the "hole" around such a position may be observed. This happens when the Fermi hole is deeper than the total exchange-correlation hole at the reference electron position. This Coulomb "heap" is shown to arise from correlation effects on the one-electron density rather than correlation effects in the pair density. Left-right correlation tends to enhance the effect of the nuclear attraction, contracting the electron density around the nuclear positions and depleting the bond center region. Possible alternative definitions of the Coulomb hole are discussed, including one based on the exact Kohn-Sham exchange hole. Approximate density functional theory methods (generalized gradient approximation) are not accurate enough to realize the advantages of this definition.

  14. Radio and radar holes and multipath zones: The global and local influences on atmospheric refractive structure and resulting adverse radio and radar performance

    NASA Astrophysics Data System (ADS)

    Cote, Owen R.; Morrissey, James F.; Izumi, Yutaka

    1987-11-01

    Results from recent USAF field testing of digital radio line-of-sight (LOS) and troposcatter (TROPO) radio path performance, in which concurrent fine vertical resolution refractivity profiles were also made, show that multipath effects on LOS and TROPO complement each other both performancewise and weatherwise. Maximum multipath delay is a clear propagation path related event in LOS and a heavy rain/thunderstorm related event in TROPO. Because radio holes and multipath zones occur concurrently, being produced by the same refractive ducting layer, LOS paths can be designed to minimize the occurrence of frequency selective fading at the possible expense of some increase in non-frequency selective fading under strong ducting conditions. Path length is less important in affecting path performance than are duct layer strength and geometry. The rule that maximum multipath delay goes as the third power of path length is not confirmed by these measurements. Measured maximum multipath delay on an LOS is better represented by a half-power dependence on path length.

  15. Kinematic determination of Electron-Hole velocities

    NASA Astrophysics Data System (ADS)

    Hutchinson, Ian H.; Zhou, C.

    2016-10-01

    Coherent self-sustaining BGK potential structures, like the electron holes that often form during nonlinear electrostatic instabilities and are frequently observed in space plasmas, have ``kinematic'' momentum conservation properties that determine their velocity. The electron and ion momentum, both internal and external to the hole, must be included. Momentum changes arise from hole acceleration and from hole depth growth, by energization processes we call jetting; and these must balance any additional external forces on the particles. Comprehensive analytic expressions for the contributions have been calculated for holes of arbitrary localized potential form. Using these, we can deduce velocity changes in various interesting situations such as the self-acceleration of electron holes during formation, the circumstances under which holes accelerate at the rate of the electrons in a background electric field, the influence of the ion stream pushing and pulling holes to higher or lower speeds, and the trapping of hole velocity between the velocity of two ion streams. The predictions are in excellent quantitative agreement with targeted PIC simulations. The kinematic theory thus explains why isolated holes behave the way they do. Partially supported by NSF/DOE Basic Plasma Grant DE-SC0010491.

  16. Nonisolated dynamic black holes and white holes

    SciTech Connect

    McClure, M. L.; Anderson, Kaem; Bardahl, Kirk

    2008-05-15

    Modifying the Kerr-Schild transformation used to generate black and white hole spacetimes, new dynamic black and white holes are obtained using a time-dependent Kerr-Schild scalar field. Physical solutions are found for black holes that shrink with time and for white holes that expand with time. The black hole spacetimes are physical only in the vicinity of the black hole, with the physical region increasing in radius with time. The white hole spacetimes are physical throughout. Unlike the standard Schwarzschild solution the singularities are nonisolated, since the time dependence introduces a mass-energy distribution. The surfaces in the metrics where g{sub tt}=g{sup rr}=0 are dynamic, moving inward with time for the black holes and outward for the white holes, which leads to a question of whether these spacetimes truly have event horizons--a problem shared with Vaidya's cosmological black hole spacetimes. By finding a surface that shrinks or expands at the same rate as the null geodesics move, and within which null geodesics move inward or outward faster than the surfaces shrink or expand, respectively, it is verified that these do in fact behave like black and white holes.

  17. Thermodynamic phase transition in the rainbow Schwarzschild black hole

    SciTech Connect

    Gim, Yongwan; Kim, Wontae E-mail: wtkim@sogang.ac.kr

    2014-10-01

    We study the thermodynamic phase transition in the rainbow Schwarzschild black hole where the metric depends on the energy of the test particle. Identifying the black hole temperature with the energy from the modified dispersion relation, we obtain the modified entropy and thermodynamic energy along with the modified local temperature in the cavity to provide well defined black hole states. It is found that apart from the conventional critical temperature related to Hawking-Page phase transition there appears an additional critical temperature which is of relevance to the existence of a locally stable tiny black hole; however, the off-shell free energy tells us that this black hole should eventually tunnel into the stable large black hole. Finally, we discuss the reason why the temperature near the horizon is finite in the rainbow black hole by employing the running gravitational coupling constant, whereas it is divergent near the horizon in the ordinary Schwarzschild black hole.

  18. Deburring small intersecting holes

    SciTech Connect

    Gillespie, L.K.

    1980-08-01

    Deburring intersecting holes is one of the most difficult deburring tasks faced by many industries. Only 14 of the 37 major deburring processes are applicable to most intersecting hole applications. Only five of these are normally applicable to small or miniature holes. Basic process capabilities and techniques used as a function of hole sizes and intersection depths are summarized.

  19. Energy levels of one-dimensional systems satisfying the minimal length uncertainty relation

    SciTech Connect

    Bernardo, Reginald Christian S. Esguerra, Jose Perico H.

    2016-10-15

    The standard approach to calculating the energy levels for quantum systems satisfying the minimal length uncertainty relation is to solve an eigenvalue problem involving a fourth- or higher-order differential equation in quasiposition space. It is shown that the problem can be reformulated so that the energy levels of these systems can be obtained by solving only a second-order quasiposition eigenvalue equation. Through this formulation the energy levels are calculated for the following potentials: particle in a box, harmonic oscillator, Pöschl–Teller well, Gaussian well, and double-Gaussian well. For the particle in a box, the second-order quasiposition eigenvalue equation is a second-order differential equation with constant coefficients. For the harmonic oscillator, Pöschl–Teller well, Gaussian well, and double-Gaussian well, a method that involves using Wronskians has been used to solve the second-order quasiposition eigenvalue equation. It is observed for all of these quantum systems that the introduction of a nonzero minimal length uncertainty induces a positive shift in the energy levels. It is shown that the calculation of energy levels in systems satisfying the minimal length uncertainty relation is not limited to a small number of problems like particle in a box and the harmonic oscillator but can be extended to a wider class of problems involving potentials such as the Pöschl–Teller and Gaussian wells.

  20. Study of the crossing of quasi-energy levels in a four-level system

    SciTech Connect

    Arushanyan, S; Melikyan, A; Saakyan, S

    2011-05-31

    It was shown previously that in taking into account only dipole transitions, the crossing of quasi-energy levels is possible in the system if any of the transitions forms a closed loop. It followed herefrom that for the analysis of the crossing conditions, it is necessary to consider a system which has at least four levels. In this paper we show that we can uniquely specify which quasi-energy levels cross at the given values of the parameters of the atomic system and radiation field, without solving an algebraic quartic equation. It was found that the most suitable system for the implementation of the crossing is the group of energy levels {sup 5}S{sub 1/2}, {sup 5}P{sub 1/2}, {sup 5}P{sub 3/2} and {sup 5}D{sub 3/2} of a rubidium atom. The performed calculations of the laser field intensity and frequency values at which crossing takes place in this system show that they are easily attainable. It turned out that in this system there occur crossing of quasi-energy levels corresponding to the excited atomic levels. (intersection of quasi-energy levels)

  1. Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Singly Ionized Vanadium (V ii)

    NASA Astrophysics Data System (ADS)

    Saloman, Edward B.; Kramida, Alexander

    2017-08-01

    The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V ii, have been compiled. The experimentally derived energy levels belong to the configurations 3d 4, 3d 3 ns (n = 4, 5, 6), 3d 3 np, and 3d 3 nd (n = 4, 5), 3d 34f, 3d 24s 2, and 3d 24s4p. Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g-factors and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60) cm-1, corresponding to 14.634(7) eV. This is 130 cm-1 higher than the previously recommended value from Iglesias et al.

  2. Role of energy-level mismatches in a multi-pathway complex of photosynthesis

    NASA Astrophysics Data System (ADS)

    Lim, James; Ryu, Junghee; Lee, Changhyoup; Yoo, Seokwon; Jeong, Hyunseok; Lee, Jinhyoung

    2011-10-01

    Considering a multi-pathway structure in a light-harvesting complex of photosynthesis, we investigated the role of energy-level mismatches between antenna molecules in transferring the absorbed energy to a reaction center (RC). We found a condition in which the antenna molecules faithfully play their roles: when their effective absorption ratios are larger than those of the receiver molecule directly coupled to the RC. In the absence of energy-level mismatches and dephasing noise, there arises quantum destructive interference between multiple paths that restricts the energy transfer. On the other hand, the destructive interference diminishes as asymmetrically biasing the energy-level mismatches and/or introducing quantum noise of dephasing for the antenna molecules, so that the transfer efficiency is greatly enhanced to nearly unity. Remarkably, the near-unity efficiency can be achieved at a wide range of asymmetric energy-level mismatches. Temporal characteristics are also optimized at the energy-level mismatches where the transfer efficiency is nearly unity. We discuss these effects, in particular, for the Fenna-Matthews-Olson complex.

  3. Energy levels of one-dimensional systems satisfying the minimal length uncertainty relation

    NASA Astrophysics Data System (ADS)

    Bernardo, Reginald Christian S.; Esguerra, Jose Perico H.

    2016-10-01

    The standard approach to calculating the energy levels for quantum systems satisfying the minimal length uncertainty relation is to solve an eigenvalue problem involving a fourth- or higher-order differential equation in quasiposition space. It is shown that the problem can be reformulated so that the energy levels of these systems can be obtained by solving only a second-order quasiposition eigenvalue equation. Through this formulation the energy levels are calculated for the following potentials: particle in a box, harmonic oscillator, Pöschl-Teller well, Gaussian well, and double-Gaussian well. For the particle in a box, the second-order quasiposition eigenvalue equation is a second-order differential equation with constant coefficients. For the harmonic oscillator, Pöschl-Teller well, Gaussian well, and double-Gaussian well, a method that involves using Wronskians has been used to solve the second-order quasiposition eigenvalue equation. It is observed for all of these quantum systems that the introduction of a nonzero minimal length uncertainty induces a positive shift in the energy levels. It is shown that the calculation of energy levels in systems satisfying the minimal length uncertainty relation is not limited to a small number of problems like particle in a box and the harmonic oscillator but can be extended to a wider class of problems involving potentials such as the Pöschl-Teller and Gaussian wells.

  4. Effect of temperature-dependent energy-level shifts on a semiconductor's Peltier heat

    NASA Astrophysics Data System (ADS)

    Emin, David

    1984-11-01

    The Peltier heat of a charge carrier in a semiconductor is calculated for the situation in which the electronic energy levels are temperature dependent. The temperature dependences of the electronic energy levels, generally observed optically, arise from their dependences on the vibrational energy of the lattice (e.g., as caused by thermal expansion). It has been suggested that these temperature dependences will typically have a major effect on the Peltier heat. The Peltier heat associated with a given energy level is a thermodynamic quantity; it is the product of the temperature and the change of the entropy of the system when a carrier is added in that level. As such, the energy levels cannot be treated as explicitly temperature dependent. The electron-lattice interaction causing the temperature dependence must be expressly considered. It is found that the carrier's interaction with the atomic vibrations lowers its electronic energy. However, the interaction of the carrier with the atomic vibrations also causes an infinitesimal lowering (~1N) of each of the N vibrational frequencies. As a result, there is a finite carrier-induced increase in the average vibrational energy. Above the Debye temperature, this cancels the lowering of the carrier's electronic energy. Thus, the standard Peltier-heat formula, whose derivation generally ignores the temperature dependence of the electronic energy levels, is regained. This explains the apparent success of the standard formula in numerous analyses of electronic transport experiments.

  5. Lee-Wick black holes

    NASA Astrophysics Data System (ADS)

    Bambi, Cosimo; Modesto, Leonardo; Wang, Yixu

    2017-01-01

    We derive and study an approximate static vacuum solution generated by a point-like source in a higher derivative gravitational theory with a pair of complex conjugate ghosts. The gravitational theory is local and characterized by a high derivative operator compatible with Lee-Wick unitarity. In particular, the tree-level two-point function only shows a pair of complex conjugate poles besides the massless spin two graviton. We show that singularity-free black holes exist when the mass of the source M exceeds a critical value Mcrit. For M >Mcrit the spacetime structure is characterized by an outer event horizon and an inner Cauchy horizon, while for M =Mcrit we have an extremal black hole with vanishing Hawking temperature. The evaporation process leads to a remnant that approaches the zero-temperature extremal black hole state in an infinite amount of time.

  6. Impact behaviour of Napier/polyester composites under different energy levels

    NASA Astrophysics Data System (ADS)

    Fahmi, I.; Majid, M. S. Abdul; Afendi, M.; Haslan, M.; Helmi E., A.; M. Haameem J., A.

    2016-07-01

    The effects of different energy levels on the impact behaviour of Napier fibre/polyester reinforced composites were investigated. Napier fibre was extracted using traditional water retting process to be utilized as reinforcing materials in polyester composite laminates. 25% fibre loading composite laminates were prepared and impacted at three different energy levels; 2.5,5 and 7.5 J using an instrumented drop weight impact testing machine (IMATEK IM10). The outcomes show that peak force and contact time increase with increased impact load. The energy absorption was then calculated from the force displacement curve. The results indicated that the energy absorption decreases with increasing energy levels of the impact. Impacted specimens were observed visually for fragmentation fracture using an optical camera to identify the failure mechanisms. Fracture fragmentation pattern from permanent dent to perforation with radial and circumferential was observed.

  7. Chemical control over the energy-level alignment in a two-terminal junction.

    PubMed

    Yuan, Li; Franco, Carlos; Crivillers, Núria; Mas-Torrent, Marta; Cao, Liang; Sangeeth, C S Suchand; Rovira, Concepció; Veciana, Jaume; Nijhuis, Christian A

    2016-07-26

    The energy-level alignment of molecular transistors can be controlled by external gating to move molecular orbitals with respect to the Fermi levels of the source and drain electrodes. Two-terminal molecular tunnelling junctions, however, lack a gate electrode and suffer from Fermi-level pinning, making it difficult to control the energy-level alignment of the system. Here we report an enhancement of 2 orders of magnitude of the tunnelling current in a two-terminal junction via chemical molecular orbital control, changing chemically the molecular component between a stable radical and its non-radical form without altering the supramolecular structure of the junction. Our findings demonstrate that the energy-level alignment in self-assembled monolayer-based junctions can be regulated by purely chemical modifications, which seems an attractive alternative to control the electrical properties of two-terminal junctions.

  8. Chemical control over the energy-level alignment in a two-terminal junction

    PubMed Central

    Yuan, Li; Franco, Carlos; Crivillers, Núria; Mas-Torrent, Marta; Cao, Liang; Sangeeth, C. S. Suchand; Rovira, Concepció; Veciana, Jaume; Nijhuis, Christian A.

    2016-01-01

    The energy-level alignment of molecular transistors can be controlled by external gating to move molecular orbitals with respect to the Fermi levels of the source and drain electrodes. Two-terminal molecular tunnelling junctions, however, lack a gate electrode and suffer from Fermi-level pinning, making it difficult to control the energy-level alignment of the system. Here we report an enhancement of 2 orders of magnitude of the tunnelling current in a two-terminal junction via chemical molecular orbital control, changing chemically the molecular component between a stable radical and its non-radical form without altering the supramolecular structure of the junction. Our findings demonstrate that the energy-level alignment in self-assembled monolayer-based junctions can be regulated by purely chemical modifications, which seems an attractive alternative to control the electrical properties of two-terminal junctions. PMID:27456200

  9. Van der Waals potential and vibrational energy levels of the ground state radon dimer

    NASA Astrophysics Data System (ADS)

    Sheng, Xiaowei; Qian, Shifeng; Hu, Fengfei

    2017-08-01

    In the present paper, the ground state van der Waals potential of the Radon dimer is described by the Tang-Toennies potential model, which requires five essential parameters. Among them, the two dispersion coefficients C6 and C8 are estimated from the well determined dispersion coefficients C6 and C8 of Xe2. C10 is estimated by using the approximation equation that C6C10/C82 has an average value of 1.221 for all the rare gas dimers. With these estimated dispersion coefficients and the well determined well depth De and Re the Born-Mayer parameters A and b are derived. Then the vibrational energy levels of the ground state radon dimer are calculated. 40 vibrational energy levels are observed in the ground state of Rn2 dimer. The last vibrational energy level is bound by only 0.0012 cm-1.

  10. Impact behaviour of Napier/polyester composites under different energy levels

    SciTech Connect

    Fahmi, I. Majid, M. S. Abdul Afendi, M. Haameem, J. M.A.; Haslan, M. Helmi, E. A.

    2016-07-19

    The effects of different energy levels on the impact behaviour of Napier fibre/polyester reinforced composites were investigated. Napier fibre was extracted using traditional water retting process to be utilized as reinforcing materials in polyester composite laminates. 25% fibre loading composite laminates were prepared and impacted at three different energy levels; 2.5,5 and 7.5 J using an instrumented drop weight impact testing machine (IMATEK IM10). The outcomes show that peak force and contact time increase with increased impact load. The energy absorption was then calculated from the force displacement curve. The results indicated that the energy absorption decreases with increasing energy levels of the impact. Impacted specimens were observed visually for fragmentation fracture using an optical camera to identify the failure mechanisms. Fracture fragmentation pattern from permanent dent to perforation with radial and circumferential was observed.

  11. The energy levels and transition properties of In-like ions

    NASA Astrophysics Data System (ADS)

    Wang, H.-W.; Zhang, L.; Jiang, G.; Li, X.-F.; Wang, H.-B.

    2017-08-01

    The energy levels and transition properties of In-like ions are investigated by using the multi-configuration Dirac-Hartree-Fock method. The results for the energy levels, transition probabilities, wavelengths, line strengths and lifetimes of In-like Cs VII—Pm XIII are reported. Relativistic effects and electron correlation are included. Our calculations agree well with the experimental and other theoretical values. The new data of energy levels and transition parameters are predicted. The level crossing happens between the configurations 5s 24f and 5s 25p with increasing nuclear charge. The transition frequencies are within the range of usual lasers because of the level crossing. In-like ions may be developed into atomic clock.

  12. Correspondence between energy levels and evolution curves of fixed points in nonlinear Landau-Zener model

    NASA Astrophysics Data System (ADS)

    Liu, Xuan-Zuo; Tian, Dong-Ping; Chong, Bo

    2016-06-01

    Liu et al. [Phys. Rev. Lett. 90(17), 170404 (2003)] proved that the characters of transition probabilities in the adiabatic limit should be entirely determined by the topology of energy levels and the stability of fixed points in the classical Hamiltonian system, according to the adiabatic theorem. In the special case of nonlinear Landau-Zener model, we simplify their results to be that the properties of transition probabilities in the adiabatic limit should just be determined by the attributes of fixed points. It is because the topology of energy levels is governed by the behavior and symmetries of fixed points, and intuitively this fact is represented as a correspondence between energy levels and evolution curves of the fixed points which can be quantitatively described as the same complexity numbers.

  13. Energy level alignment at planar organic heterojunctions: influence of contact doping and molecular orientation.

    PubMed

    Opitz, Andreas

    2017-04-05

    Planar organic heterojunctions are widely used in photovoltaic cells, light-emitting diodes, and bilayer field-effect transistors. The energy level alignment in the devices plays an important role in obtaining the aspired gap arrangement. Additionally, the π-orbital overlap between the involved molecules defines e.g. the charge-separation efficiency in solar cells due to charge-transfer effects. To account for both aspects, direct/inverse photoemission spectroscopy and near edge x-ray absorption fine structure spectroscopy were used to determine the energy level landscape and the molecular orientation at prototypical planar organic heterojunctions. The combined experimental approach results in a comprehensive model for the electronic and morphological characteristics of the interface between the two investigated molecular semiconductors. Following an introduction on heterojunctions used in devices and on energy levels of organic materials, the energy level alignment of planar organic heterojunctions will be discussed. The observed energy landscape is always determined by the individual arrangement between the energy levels of the molecules and the work function of the electrode. This might result in contact doping due to Fermi level pinning at the electrode for donor/acceptor heterojunctions, which also improves the solar cell efficiency. This pinning behaviour can be observed across an unpinned interlayer and results in charge accumulation at the donor/acceptor interface, depending on the transport levels of the respective organic semiconductors. Moreover, molecular orientation will affect the energy levels because of the anisotropy in ionisation energy and electron affinity and is influenced by the structural compatibility of the involved molecules at the heterojunction. High structural compatibility leads to π-orbital stacking between different molecules at a heterojunction, which is of additional interest for photovoltaic active interfaces and for ground

  14. Energy level alignment at planar organic heterojunctions: influence of contact doping and molecular orientation

    NASA Astrophysics Data System (ADS)

    Opitz, Andreas

    2017-04-01

    Planar organic heterojunctions are widely used in photovoltaic cells, light-emitting diodes, and bilayer field-effect transistors. The energy level alignment in the devices plays an important role in obtaining the aspired gap arrangement. Additionally, the π-orbital overlap between the involved molecules defines e.g. the charge-separation efficiency in solar cells due to charge-transfer effects. To account for both aspects, direct/inverse photoemission spectroscopy and near edge x-ray absorption fine structure spectroscopy were used to determine the energy level landscape and the molecular orientation at prototypical planar organic heterojunctions. The combined experimental approach results in a comprehensive model for the electronic and morphological characteristics of the interface between the two investigated molecular semiconductors. Following an introduction on heterojunctions used in devices and on energy levels of organic materials, the energy level alignment of planar organic heterojunctions will be discussed. The observed energy landscape is always determined by the individual arrangement between the energy levels of the molecules and the work function of the electrode. This might result in contact doping due to Fermi level pinning at the electrode for donor/acceptor heterojunctions, which also improves the solar cell efficiency. This pinning behaviour can be observed across an unpinned interlayer and results in charge accumulation at the donor/acceptor interface, depending on the transport levels of the respective organic semiconductors. Moreover, molecular orientation will affect the energy levels because of the anisotropy in ionisation energy and electron affinity and is influenced by the structural compatibility of the involved molecules at the heterojunction. High structural compatibility leads to π-orbital stacking between different molecules at a heterojunction, which is of additional interest for photovoltaic active interfaces and for ground

  15. Experimental Energy Levels and Partition Function of the 12C2 Molecule

    NASA Astrophysics Data System (ADS)

    Furtenbacher, Tibor; Szabó, István; Császár, Attila G.; Bernath, Peter F.; Yurchenko, Sergei N.; Tennyson, Jonathan

    2016-06-01

    The carbon dimer, the 12C2 molecule, is ubiquitous in astronomical environments. Experimental-quality rovibronic energy levels are reported for 12C2, based on rovibronic transitions measured for and among its singlet, triplet, and quintet electronic states, reported in 42 publications. The determination utilizes the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. The 23,343 transitions measured experimentally and validated within this study determine 5699 rovibronic energy levels, 1325, 4309, and 65 levels for the singlet, triplet, and quintet states investigated, respectively. The MARVEL analysis provides rovibronic energies for six singlet, six triplet, and two quintet electronic states. For example, the lowest measurable energy level of the {{a}}{}3{{{\\Pi }}}{{u}} state, corresponding to the J = 2 total angular momentum quantum number and the F 1 spin-multiplet component, is 603.817(5) cm-1. This well-determined energy difference should facilitate observations of singlet-triplet intercombination lines, which are thought to occur in the interstellar medium and comets. The large number of highly accurate and clearly labeled transitions that can be derived by combining MARVEL energy levels with computed temperature-dependent intensities should help a number of astrophysical observations as well as corresponding laboratory measurements. The experimental rovibronic energy levels, augmented, where needed, with ab initio variational ones based on empirically adjusted and spin-orbit coupled potential energy curves obtained using the Duo code, are used to obtain a highly accurate partition function, and related thermodynamic data, for 12C2 up to 4000 K.

  16. Energy Levels and Half-Lives of Gallium Isotopes Obtained by Photo-Nuclear Reaction

    NASA Astrophysics Data System (ADS)

    Dulger, F.; Akkoyun, S.; Bayram, T.; Dapo, H.; Boztosun, I.

    2015-04-01

    We have run an experiment to determine the energy levels and half-lives of Gallium nucleus by using the photonuclear reactions with end-point energy of 18 MeV bremsstrahlung photons, produced by a clinical linear accelerator. As a result of 71Ga(y,n)70Ga and 69Ga(Y,n)68Ga photonuclear reactions, the energy levels and half-lives of 70Ga and 68Ga nuclei have been determined. The results are in good agreement with the literature values.

  17. Tuning the HOMO and LUMO energy levels of organic chromophores for dye sensitized solar cells.

    PubMed

    Hagberg, Daniel P; Marinado, Tannia; Karlsson, Karl Martin; Nonomura, Kazuteru; Qin, Peng; Boschloo, Gerrit; Brinck, Tore; Hagfeldt, Anders; Sun, Licheng

    2007-12-07

    A series of organic chromophores have been synthesized in order to approach optimal energy level composition in the TiO2-dye-iodide/triiodide system in the dye-sensitized solar cells. HOMO and LUMO energy level tuning is achieved by varying the conjugation between the triphenylamine donor and the cyanoacetic acid acceptor. This is supported by spectral and electrochemical experiments and TDDFT calculations. These results show that energetic tuning of the chromophores was successful and fulfilled the thermodynamic criteria for dye-sensitized solar cells, electrical losses depending on the size and orientation of the chromophores were observed.

  18. New blue emissive conjugated small molecules with low lying HOMO energy levels for optoelectronic applications

    NASA Astrophysics Data System (ADS)

    Trupthi Devaiah, C.; Hemavathi, B.; Ahipa, T. N.

    2017-03-01

    Versatile conjugated small molecules bearing cyanopyridone core (CP1-5), composed of various donor/acceptor moieties at position - 4 and - 6 have been designed, developed and characterized. Their solvatochromic studies were conducted and analyzed using Lippert-Mataga, Kamlet-Taft and Catalan solvent scales and interesting results were obtained. The polarizability/dipolarity of the solvent greatly influenced the spectra. The electrochemical studies were carried out using cyclic voltammetry to calculate the HOMO-LUMO energy levels. The study revealed that the synthesized conjugated small molecules possess low lying HOMO energy levels which can be exploited for application in various fields of optoelectronics.

  19. Energy levels, oscillator strengths, and transition probabilities for sulfur-like scandium, Sc VI

    NASA Astrophysics Data System (ADS)

    El-Maaref, A. A.; Abou Halaka, M. M.; Saddeek, Yasser B.

    2017-09-01

    Energy levels, Oscillator strengths, and transition probabilities for sulfur-like scandium are calculated using CIV3 code. The calculations have been executed in an intermediate coupling scheme using Breit-Pauli Hamiltonian. The present calculations have been compared with the experimental data and other theoretical calculations. LANL code has been used to confirm the accuracy of the present calculations, where the calculations using CIV3 code agree well with the corresponding values by LANL code. The calculated energy levels and oscillator strengths are in reasonable agreement with the published experimental data and theoretical values. We have calculated lifetimes of some excited levels, as well.

  20. Energy levels and zero field splitting parameter for Fe2+ doped in ZnS

    NASA Astrophysics Data System (ADS)

    Ivaşcu, Simona

    2013-11-01

    The aim of present paper is to report the results on the modeling of the crystal field parameters of Fe2+ doped in host matrix ZnS, simulate the energy levels scheme and calculate the zero field splitting parameter D of such system. The crystal field parameters were modeled in the frame of the superposition model of crystal field and the simulation of the energy levels scheme and calculation of the zero field splitting parameters done by diagonalization the Hamiltonian of Fe2+:ZnS system. The obtained results were disscused and compared with experimental data. Satisfactory agreement have been obtained.

  1. Time resolved resonant photoemission study of energy level alignment at donor/acceptor interfaces

    NASA Astrophysics Data System (ADS)

    Costantini, R.; Pincelli, T.; Cossaro, A.; Verdini, A.; Goldoni, A.; Cichoň, S.; Caputo, M.; Pedio, M.; Panaccione, G.; Silly, M. G.; Sirotti, F.; Morgante, A.; Dell'Angela, M.

    2017-09-01

    The knowledge of the picosecond dynamics of the energy level alignment between donor and acceptor materials in organic photovoltaic devices under working conditions is a challenge for fundamental material research. We measured by means of time-resolved Resonant X-ray Photoemission Spectroscopy (RPES) the energy level alignment in ZnPc/C60 films. We employed 800 nm femtosecond laser pulses to pump the system simulating sunlight excitation and X-rays from the synchrotron as a probe. We measured changes in the valence bands due to pump induced modifications of the interface dipole. Our measurements prove the feasibility of time-resolved RPES with high repetition rate sources.

  2. Energy-level alignment at interfaces between manganese phthalocyanine and C60

    PubMed Central

    Rückerl, Florian; Büchner, Bernd

    2017-01-01

    We have used photoelectron spectroscopy to determine the energy-level alignment at organic heterojunctions made of manganese phthalocyanine (MnPc) and the fullerene C60. We show that this energy-level alignment depends upon the preparation sequence, which is explained by different molecular orientations. Moreover, our results demonstrate that MnPc/C60 interfaces are hardly suited for application in organic photovoltaic devices, since the energy difference of the two lowest unoccupied molecular orbitals (LUMOs) is rather small. PMID:28546887

  3. Energy levels of odd-even nuclei using broken pair model

    SciTech Connect

    Hamammu, I. M.; Haq, S.; Eldahomi, J. M.

    2012-09-06

    A method to calculate energy levels and wave functions of odd-even nuclei, in the frame work of the broken pair model have been developed. The accuracy of the model has been tested by comparing the shell model results of limiting cases in which the broken pair model exactly coincides with the shell model, where there are two-proton/neutron + one-neutron/proton in the valence levels. The model is then applied to calculate the energy levels of some nuclei in the Zirconium region. The model results compare reasonably well with the shell model as well as with the experimental data.

  4. Deep Hole in 'Clovis'

    NASA Technical Reports Server (NTRS)

    2004-01-01

    [figure removed for brevity, see original site] Figure 1

    At a rock called 'Clovis,' the rock abrasion tool on NASA's Mars Exploration Rover Spirit cut a 9-millimeter (0.35-inch) hole during the rover's 216th martian day, or sol (Aug. 11, 2004). The hole is the deepest drilled in a rock on Mars so far. This approximately true-color view was made from images taken by Spirit's panoramic camera on sol 226 (Aug. 21, 2004) at around 12:50 p.m. local true solar time -- early afternoon in Gusev Crater on Mars. To the right is a 'brush flower' of circles produced by scrubbing the surface of the rock with the abrasion tool's wire brush. Scientists used rover's Moessbauer spectrometer and alpha particle X-ray spectrometer to look for iron-bearing minerals and determine the elemental chemical composition of the rock. This composite combines images taken with the camera's 750-, 530-, and 430-nanometer filters. The grayish-blue hue in this image suggests that the interior of the rock contains iron minerals that are less oxidized than minerals on the surface. The diameter of the hole cut into the rock is 4.5 centimeters (1.8 inches).

    Data on the graph (Figure 1) from the alpha particle X-ray spectrometer instrument on the robotic arm of NASA's Mars Exploration Rover Spirit reveal the elemental chemistry of two rocks, 'Ebenezer' and 'Clovis,' (see PIA06914) in the 'Columbia Hills.' Scientists found, through comparison of the rocks' chemistry, that Ebenezer and Clovis have very different compositions from the rocks on the Gusev plains.

  5. Bore hole navigator

    SciTech Connect

    Hoffman, G.J.

    1987-09-29

    A bore hole navigator is described comprising a two axis platform for lowering down a bore hole on a cable with its longitudinal axis parallel to the local bore hole direction. The two axis platform has an outer gimbal, bearing supported on the outer gimbal axis for rotation about the longitudinal axis of the platform, and an inner gimbal axis orthogonal the the outer gimbal axis. The inner gimbal axis has multiple axis segments spaced along the longitudinal axis of the platform and each bearing supported on the outer gimbal. The inner gimbal axis segment has a two axis gyro mounted thereon with its spin axis orthogonal to the respective inner gimbal axis segment, a first gyro sensitive axis parallel to the respective inner gimbal axis segment and a second gyro sensitive axis orthogonal to the spin axis. The second inner gimbal axis segment has a pitch torquer thereon operative to provide a controllable torque about the respective inner gimbal axis segment. The third inner gimbal axis segment has a pitch resolver thereon operative to measure rotation of the respective inner gimbal axis segment with respect to the outer gimbal. The first, second and third inner gimbal axis segments are coupled to rotate together. The outer gimbal has a yaw torquer thereon to provide a controllable torque about the outer gimbal axis, and a yaw resolver thereon to measure rotation of the outer gimbal about the outer gimbal axis. The outer gimbal also has a single axis accelerometer therein having its sensitive axis orthogonal to the outer gimbal axis and the inner gimbal axis segments.

  6. Structure and energy level alignment at the dye-electrode interface in p-type DSSCs: new hints on the role of anchoring modes from ab initio calculations.

    PubMed

    Muñoz-García, Ana B; Pavone, Michele

    2015-05-14

    p-type dye-sensitized solar cells (DSSCs) represent the complementary photocathodes to the well-studied n-type DSSCs (Grätzel cells), but their low performances have hindered the development of convenient tandem solar cells based on cost-effective n- and p-type DSSCs. Because of their low efficiencies, experimental investigations highlighted the role of hole-electron transport processes at the dye-electrode interface. However, the effects of the dye anchoring groups on interfacial electronic features are still unclear. We report here a first principles study of a benchmark p-type DSSC model, namely the widely used Coumarin-based dye C343 adsorbed on the p-NiO surface. Together with the original carboxylic acid, we test the alternative phosphonic acid as the anchoring group. We investigate binding energies, structural features and electronic energy level alignments: our results highlight that these properties are highly sensitive to the binding modes. In particular, both the chemical nature of the anchoring group and the binding mode strongly affect the thermodynamic driving force for the dye-electrode hole injection process. From analysis of the electronic densities, we find that favorable driving forces are correlated with small values of the interfacial electrostatic dipole that is formed upon dye adsorption. From our results, we derive new hints for improving open circuit potential and the hole injection process in p-type DSSCs based on NiO electrodes.

  7. Localization-driven metal-insulator transition in epitaxial hole-doped Nd1-x Sr x NiO3 ultrathin films

    NASA Astrophysics Data System (ADS)

    Wang, Le; Chang, Lei; Yin, Xinmao; Rusydi, Andrivo; You, Lu; Zhou, Yang; Fang, Liang; Wang, Junling

    2017-01-01

    Advances in thin film growth technologies make it possible to obtain ultra-thin perovskite oxide films and open the window for controlling novel electronic phases for use in functional nanoscale electronics, such as switches and sensors. Here, we study the thickness-dependent transport characteristics of high-quality ultrathin Nd0.9Sr0.1NiO3 (Sr-NNO) films, which were grown on LaAlO3 (0 0 1) single-crystal substrates by using pulsed laser deposition method. Thick Sr-NNO films (25 unit cells) exhibit metallic behavior with the electrical resistivity following the T  n (n  <  2) law corresponding to a non-Fermi liquid system, while a temperature driven metal-insulator transition (MIT) is observed with films of less than 15 unit cells. The transition temperature increases with reducing film thickness, until the insulating characteristic is observed even at room temperature. The emergence of the insulator ground state can be attributed to weak localization driven MIT expected by considering Mott-Ioffe-Regel limit. Furthermore, the magneto-transport study of Sr-NNO ultrathin films also confirms that the observed MIT is due to the disorder-induced localization rather than the electron-electron interactions.

  8. Method and apparatus of assessing down-hole drilling conditions

    DOEpatents

    Hall, David R.; Pixton, David S.; Johnson, Monte L.; Bartholomew, David B.; Fox, Joe

    2007-04-24

    A method and apparatus for use in assessing down-hole drilling conditions are disclosed. The apparatus includes a drill string, a plurality of sensors, a computing device, and a down-hole network. The sensors are distributed along the length of the drill string and are capable of sensing localized down-hole conditions while drilling. The computing device is coupled to at least one sensor of the plurality of sensors. The data is transmitted from the sensors to the computing device over the down-hole network. The computing device analyzes data output by the sensors and representative of the sensed localized conditions to assess the down-hole drilling conditions. The method includes sensing localized drilling conditions at a plurality of points distributed along the length of a drill string during drilling operations; transmitting data representative of the sensed localized conditions to a predetermined location; and analyzing the transmitted data to assess the down-hole drilling conditions.

  9. Femtosecond hole-burning spectroscopy of the dye DCM in solution: the transition from the locally excited to a charge-transfer state

    NASA Astrophysics Data System (ADS)

    Kovalenko, S. A.; Ernsting, N. P.; Ruthmann, J.

    1996-08-01

    Transient spectra of the styryl dyM (4-dicyanomethylene-2-methyl-6- p-dimethylaminostyryl-4H-pyran) in methanol were studied by the pump-supercontinuum probe technique with 40 fs time resolution. A theory of measurements with a supercontinuum probe is presented. Gain and absorption spectra were measured from 400 to 800 nm with 1.5 nm resolution. Before 70 fs, prominent spectral structure is observed which is mainly due to resonant Raman processes. At longer times the spectrum undergoes a red shift and change of shape (time constant 140 fs) with a well-defined isosbestic point. After 300 fs solvation becomes apparent. The early transient spectrum is assigned to the locally excited state of DCM.

  10. Inversion Vibrational Energy Levels of AsH3 + Studied by Zero-Kinetic Photoelectron Spectroscopy

    NASA Astrophysics Data System (ADS)

    Mo, Yuxiang

    2016-06-01

    The rotational-resolved vibrational spectra of AsH3 + have been measured for the first time with vibrational energies up to 6000 wn above the ground state using zero-kinetic energy photoelectron spectroscopic method. The inversion vibrational energy levels (νb{2}) and the corresponding rotational constants for the νb{2} =0-16 have been determined. The tunneling splittings of the inversion vibration energy levels have been observed for the ground and the first excited vibrational states. The geometric parameters of AsH3 + as a function of inversion vibrational quantum states have been determined, indicating that the geometric structure of the cation changes from near planar structure to a pyramidal structure with more vibrational excitations. In addition to the experimental measurement, a two-dimensional theoretical calculation including the two symmetric vibrational modes was performed to determine the energy levels of the symmetric inversion and As-H stretching vibrations. The calculated vibrational energy levels are in good agreement with the experimental results. The first adiabatic ionization energy (IE) for AsH3 was also accurately determined. The result of this work will be compared with our published result on the PH3+.

  11. Self-energy shift of the energy levels of atomic hydrogen in photonic crystal medium

    NASA Astrophysics Data System (ADS)

    Gainutdinov, R. Kh; Khamadeev, M. A.; Steryakov, O. V.; Ziyatdinova, K. A.; Salakhov, M. Kh

    2016-05-01

    Corrections to the average kinetic energy of atomic electrons caused by the change in electron mass in the photonic crystal medium are investigated. Corresponding shift of energy levels of atoms placed in a photonic crystal is shown to be of order of the ordinary Lamb shift.

  12. Peculiarities of collisional excitation transfer with excited screened energy levels of atoms

    SciTech Connect

    Gerasimov, V. A.; Gerasimov, V. V.; Pavlinskiy, A. V.

    2007-09-15

    We report an experimental discovery of deviations from the known regularities in collisional excitation transfer processes for metal atoms. The collisional excitation transfer with excited screened energy levels of thulium and dysprosium atoms is studied. The selecting role of the screening 6s shell in collisional excitation transfer is shown.

  13. Probing Energy Levels of Large Array Quantum Dot Superlattice by Electronic Transport Measurement

    NASA Astrophysics Data System (ADS)

    Bisri, S. Z.; Degoli, E.; Spallanzani, N.; Krishnan, G.; Kooi, B.; Ghica, C.; Yarema, M.; Protesescu, L.; Heiss, W.; Kovalenko, M.; Pulci, O.; Ossicini, S.; Iwasa, Y.; Loi, M. A.

    2015-03-01

    Colloidal quantum dot superlattice (CQDS) emerges as new type of hybrid solids allowing easy fabrication of devices that exploits the quantum confinement properties of individual QD. This materials displays peculiar characters, making investigation of their transport properties nontrivial. Besides the bandgap variations, 0D nature of QD lead to the formation of discrete energy subbands. These subbands are crucial for multiple exciton generation (for efficient solar cell), thermoelectric material and multistate transistor. Full understanding of the CQDS energy level structure is vital to use them in complex devices. Here we show a powerful method to determine the CQDS electronic energy levels from their intrinsic charge transport characteristics. Via the use of ambipolar transistors with CQDS as active materials and gated using highly capacitive ionic liquid gating, Fermi energy can be largely tuned. It can access energy levels beyond QD's HOMO & LUMO. Ability to probe not only the bandgap, but also the discrete energy level from large assembly of QD at room temperature suggests the formation of energy minibands in this system.

  14. Improved Experimental and Theoretical Energy Levels of Carbon I from Solar Infrared Spectra

    NASA Technical Reports Server (NTRS)

    Chang, Edward S.; Geller, Murray

    1997-01-01

    We have improved the energy levels in neutral carbon using high resolution infrared solar spectra. The main source is the ATMOS spectrum measured by the Fourier transaform spectroscopy technique from 600 to 4800 cm-1, supplemented by the MARK IV balloon data, covering from 4700 to 5700 cm-1.

  15. Energy Levels in Helium and Neon Atoms by an Electron-Impact Method.

    ERIC Educational Resources Information Center

    Taylor, N.; And Others

    1981-01-01

    Electronic energy levels in noble gas atoms may be determined with a simple teaching apparatus incorporating a resonance potentials tube in which the electron beam intensity is held constant. The resulting spectra are little inferior to those obtained by more elaborate electron-impact methods and complement optical emission spectra. (Author/SK)

  16. Synthesis of silicon carbide nanopowders in free flowing plasma jet with different energy levels

    NASA Astrophysics Data System (ADS)

    Nikitin, D.; Sivkov, A.; Rahmatullin, I.; Ivashutenko, A.

    2017-05-01

    Silicon carbide (SiC) nanopowders were produced by the synthesis in an electrodischarge plasma jet generated by a high-current pulsed coaxial magnetoplasma accelerator. The present work focuses on the experiments where the obtained hypersonic plasma jet flew into space of the reactor chamber without impact on a target. The energy level of experiments was changed from ∼10.0 to ∼30.0 kJ. Four experiments were carried out at different energy levels. The powder products synthesized by the plasmadynamic method were studied by such well-known methods: X-ray diffraction (XRD), transmission electron microscopy (TEM). All the powders mainly contain cubic silicon carbide (β-SiC) particles with clear crystal structures and triangular shapes. SiC content reaches its maximum value 95% at the energy level 21.0 kJ, then SiC content is decreased to 70% the energy level 27.8 kJ. The powder crystallites in different experiments have approximately the same average crystallite size because quasistationary time, which allows growing powder crystallites, is absent.

  17. Energy Levels in Helium and Neon Atoms by an Electron-Impact Method.

    ERIC Educational Resources Information Center

    Taylor, N.; And Others

    1981-01-01

    Electronic energy levels in noble gas atoms may be determined with a simple teaching apparatus incorporating a resonance potentials tube in which the electron beam intensity is held constant. The resulting spectra are little inferior to those obtained by more elaborate electron-impact methods and complement optical emission spectra. (Author/SK)

  18. No supermassive black hole in M33?

    PubMed

    Merritt, D; Ferrarese, L; Joseph, C L

    2001-08-10

    We observed the nucleus of M33, the third-brightest galaxy in the Local Group, with the Space Telescope Imaging Spectrograph at a resolution at least a factor of 10 higher than previously obtained. Rather than the steep rise expected within the radius of gravitational influence of a supermassive black hole, the random stellar velocities showed a decrease within a parsec of the center of the galaxy. The implied upper limit on the mass of the central black hole is only 3000 solar masses, about three orders of magnitude lower than the dynamically inferred mass of any other supermassive black hole. Detecting black holes of only a few thousand solar masses is observationally challenging, but it is critical to establish how supermassive black holes relate to their host galaxies, and which mechanisms influence the formation and evolution of both.

  19. Unveiling universal trends for the energy level alignment in organic/oxide interfaces.

    PubMed

    Martínez, José I; Flores, Fernando; Ortega, José; Rangan, Sylvie; Ruggieri, Charles M; Bartynski, Robert A

    2017-09-20

    In this perspective we present a comprehensive analysis of the energy level alignment at the interface between an organic monolayer (organic = perylenetetracarboxylic dianhydride, PTCDA, zinc tetraphenylporphyrin, Zn-TPP, and tetracyanoquinodimethane, TCNQ) and a prototypical oxide surface, TiO2(110), looking for universal behaviours. PTCDA shows a physisorbed interaction with TiO2 and a small interface dipole potential with its highest occupied molecular orbital (HOMO) energy level located in the oxide energy gap and the lowest occupied molecular orbital (LUMO) energy level located above the oxide conduction band minimum, EC. We analyse how the interface barrier depends on an external bias potential between the organic layer and the oxide surface, Δ, and find for this interface that the screening parameter S = d|(EC - HOMO)|dΔ is close to 1. In the second case, the Zn-TPP monolayer shows a moderate chemisorbed interaction with some charge transfer from the molecule to the oxide and a significant interface dipole potential, in such a way that S decreases to around 0.8. In the TCNQ/TiO2(110) case, the TCNQ molecules present a strong chemical interaction with the oxide; the LUMO energy level is located in the oxide energy gap in such a way that one electron is transferred from the oxide to the organic molecule; we also find that in this case S ≈ 0.5. All these cases can be integrated within a universal behaviour when (EC - HOMO) is calculated as a function of Δ; that function presents a zig-zag curve with a central part having an S-slope, and two plateaus associated with either the LUMO or the HOMO energy levels crossing the oxide Fermi level. In these plateaus, a Coulomb blockade regime arises and a pace charge layer develops in the oxide surface.

  20. Forest Management Intensity Affects Aquatic Communities in Artificial Tree Holes.

    PubMed

    Petermann, Jana S; Rohland, Anja; Sichardt, Nora; Lade, Peggy; Guidetti, Brenda; Weisser, Wolfgang W; Gossner, Martin M

    2016-01-01

    Forest management could potentially affect organisms in all forest habitats. However, aquatic communities in water-filled tree-holes may be especially sensitive because of small population sizes, the risk of drought and potential dispersal limitation. We set up artificial tree holes in forest stands subject to different management intensities in two regions in Germany and assessed the influence of local environmental properties (tree-hole opening type, tree diameter, water volume and water temperature) as well as regional drivers (forest management intensity, tree-hole density) on tree-hole insect communities (not considering other organisms such as nematodes or rotifers), detritus content, oxygen and nutrient concentrations. In addition, we compared data from artificial tree holes with data from natural tree holes in the same area to evaluate the methodological approach of using tree-hole analogues. We found that forest management had strong effects on communities in artificial tree holes in both regions and across the season. Abundance and species richness declined, community composition shifted and detritus content declined with increasing forest management intensity. Environmental variables, such as tree-hole density and tree diameter partly explained these changes. However, dispersal limitation, indicated by effects of tree-hole density, generally showed rather weak impacts on communities. Artificial tree holes had higher water temperatures (on average 2°C higher) and oxygen concentrations (on average 25% higher) than natural tree holes. The abundance of organisms was higher but species richness was lower in artificial tree holes. Community composition differed between artificial and natural tree holes. Negative management effects were detectable in both tree-hole systems, despite their abiotic and biotic differences. Our results indicate that forest management has substantial and pervasive effects on tree-hole communities and may alter their structure and

  1. Forest Management Intensity Affects Aquatic Communities in Artificial Tree Holes

    PubMed Central

    Petermann, Jana S.; Rohland, Anja; Sichardt, Nora; Lade, Peggy; Guidetti, Brenda; Weisser, Wolfgang W.; Gossner, Martin M.

    2016-01-01

    Forest management could potentially affect organisms in all forest habitats. However, aquatic communities in water-filled tree-holes may be especially sensitive because of small population sizes, the risk of drought and potential dispersal limitation. We set up artificial tree holes in forest stands subject to different management intensities in two regions in Germany and assessed the influence of local environmental properties (tree-hole opening type, tree diameter, water volume and water temperature) as well as regional drivers (forest management intensity, tree-hole density) on tree-hole insect communities (not considering other organisms such as nematodes or rotifers), detritus content, oxygen and nutrient concentrations. In addition, we compared data from artificial tree holes with data from natural tree holes in the same area to evaluate the methodological approach of using tree-hole analogues. We found that forest management had strong effects on communities in artificial tree holes in both regions and across the season. Abundance and species richness declined, community composition shifted and detritus content declined with increasing forest management intensity. Environmental variables, such as tree-hole density and tree diameter partly explained these changes. However, dispersal limitation, indicated by effects of tree-hole density, generally showed rather weak impacts on communities. Artificial tree holes had higher water temperatures (on average 2°C higher) and oxygen concentrations (on average 25% higher) than natural tree holes. The abundance of organisms was higher but species richness was lower in artificial tree holes. Community composition differed between artificial and natural tree holes. Negative management effects were detectable in both tree-hole systems, despite their abiotic and biotic differences. Our results indicate that forest management has substantial and pervasive effects on tree-hole communities and may alter their structure and

  2. Elongated Coronal Hole

    NASA Image and Video Library

    2016-03-24

    NASA Solar Dynamics Observatory shows a long coronal hole has rotated so that was temporarily facing right towards Earth Mar. 23-25, 2016. Coronal holes appear dark when viewed in some wavelengths of extreme ultraviolet light.

  3. NASA Now: Black Holes

    NASA Image and Video Library

    In this NASA Now episode, Dr. Daniel Patnaude talks about how his team discovered a baby black hole, why this is important and how black holes create tidal forces. Throughout his discussion, Patnau...

  4. Black hole hair removal

    NASA Astrophysics Data System (ADS)

    Banerjee, Nabamita; Mandal, Ipsita; Sen, Ashoke

    2009-07-01

    Macroscopic entropy of an extremal black hole is expected to be determined completely by its near horizon geometry. Thus two black holes with identical near horizon geometries should have identical macroscopic entropy, and the expected equality between macroscopic and microscopic entropies will then imply that they have identical degeneracies of microstates. An apparent counterexample is provided by the 4D-5D lift relating BMPV black hole to a four dimensional black hole. The two black holes have identical near horizon geometries but different microscopic spectrum. We suggest that this discrepancy can be accounted for by black hole hair — degrees of freedom living outside the horizon and contributing to the degeneracies. We identify these degrees of freedom for both the four and the five dimensional black holes and show that after their contributions are removed from the microscopic degeneracies of the respective systems, the result for the four and five dimensional black holes match exactly.

  5. Black Hole Thermodynamics

    NASA Astrophysics Data System (ADS)

    Israel, Werner

    This chapter reviews the conceptual developments on black hole thermodynamics and the attempts to determine the origin of black hole entropy in terms of their horizon area. The brick wall model and an operational approach are discussed. An attempt to understand at the microlevel how the quantum black hole acquires its thermal properties is included. The chapter concludes with some remarks on the extension of these techniques to describing the dynamical process of black hole evaporation.

  6. Black hole entanglement and quantum error correction

    NASA Astrophysics Data System (ADS)

    Verlinde, Erik; Verlinde, Herman

    2013-10-01

    It was recently argued in [1] that black hole complementarity strains the basic rules of quantum information theory, such as monogamy of entanglement. Motivated by this argument, we develop a practical framework for describing black hole evaporation via unitary time evolution, based on a holographic perspective in which all black hole degrees of freedom live on the stretched horizon. We model the horizon as a unitary quantum system with finite entropy, and do not postulate that the horizon geometry is smooth. We then show that, with mild assumptions, one can reconstruct local effective field theory observables that probe the black hole interior, and relative to which the state near the horizon looks like a local Minkowski vacuum. The reconstruction makes use of the formalism of quantum error correcting codes, and works for black hole states whose entanglement entropy does not yet saturate the Bekenstein-Hawking bound. Our general framework clarifies the black hole final state proposal, and allows a quantitative study of the transition into the "firewall" regime of maximally mixed black hole states.

  7. Interacting quantum fields around a black hole

    NASA Astrophysics Data System (ADS)

    Hawking, S. W.

    1981-09-01

    If one studies interacting fields on a black hole background using ordinary Feynman diagrams, one is faced with a problem of what to do with lines that cross the horizon. To avoid this difficulty a formulation is developed which can be expressed graphically in terms of a new class of diagram with external lines only at infinity. This formalism is applied to study the question of whether spontaneously broken symmetry would be restored near the black hole. It is also used to show that a black hole can emit more particles than antiparticles even in theories where the particle number is locally conserved by a global U(1) symmetry.

  8. Strongly Magnetized Accretion Disks Around Black Holes

    NASA Astrophysics Data System (ADS)

    Salvesen, Greg; Armitage, Philip J.; Simon, Jacob B.; Begelman, Mitchell C.

    2017-01-01

    Recent observations are suggestive of strongly magnetized accretion disks around black holes. Performing local (shearing box) simulations of accretion disks, we investigate how a strong magnetization state can develop and persist. We demonstrate that poloidal flux is a necessary prerequisite for the sustainability of strongly magnetized accretion disks. We also show that black hole spin measurements can become unconstrained if magnetic fields provide a significant contribution to the vertical pressure support of the accretion disk atmosphere.

  9. A system for measuring thermal activation energy levels in silicon by thermally stimulated capacitance

    NASA Technical Reports Server (NTRS)

    Cockrum, R. H.

    1982-01-01

    One method being used to determine energy level(s) and electrical activity of impurities in silicon is described. The method is called capacitance transient spectroscopy (CTS). It can be classified into three basic categories: the thermally stimulated capacitance method, the voltage-stimulated capacitance method, and the light-stimulated capacitance method; the first two categories are discussed. From the total change in capacitance and the time constant of the capacitance response, emission rates, energy levels, and trap concentrations can be determined. A major advantage of using CTS is its ability to detect the presence of electrically active impurities that are invisible to other techniques, such as Zeeman effect atomic absorption, and the ability to detect more than one electrically active impurity in a sample. Examples of detection of majority and minority carrier traps from gold donor and acceptor centers in silicon using the capacitance transient spectrometer are given to illustrate the method and its sensitivity.

  10. Variational Calculations of Ro-Vibrational Energy Levels and Transition Intensities for Tetratomic Molecules

    NASA Technical Reports Server (NTRS)

    Schwenke, David W.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    A description is given of an algorithm for computing ro-vibrational energy levels for tetratomic molecules. The expressions required for evaluating transition intensities are also given. The variational principle is used to determine the energy levels and the kinetic energy operator is simple and evaluated exactly. The computational procedure is split up into the determination of one dimensional radial basis functions, the computation of a contracted rotational-bending basis, followed by a final variational step coupling all degrees of freedom. An angular basis is proposed whereby the rotational-bending contraction takes place in three steps. Angular matrix elements of the potential are evaluated by expansion in terms of a suitable basis and the angular integrals are given in a factorized form which simplifies their evaluation. The basis functions in the final variational step have the full permutation symmetries of the identical particles. Sample results are given for HCCH and BH3.

  11. Energy Levels and Oscillator Strengths for Allowed Transitions in S III

    NASA Technical Reports Server (NTRS)

    Tayal, S. S.

    1995-01-01

    We have calculated energy levels and oscillator strengths for dipole-allowed transitions between the terms belonging to the 3s(sup 2)3p(sup 2), 3s3p(sup 3), 3S(sup 2)3p3d, 3S(sup 2)3p4s, 3S(sup 2)3p4p and 3s(sup 2)3p4d configurations of S iii in the LS-coupling scheme. We used flexible radial functions and included a large number of configurations in the configuration-interaction expansions to ensure convergence. The calculated energy levels are in close agreement with the recent laboratory measurement. The present oscillator strengths are compared with other calculations and experiments and most of the existing discrepancies between the available calculations are resolved.

  12. First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces

    DOE PAGES

    Kharche, Neerav; Muckerman, James T.; Hybertsen, Mark S.

    2014-10-21

    A first-principles approach is demonstrated for calculating the relationship between an aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynamics, yielding the interface electrostatic dipole. The GW approach from many-body perturbation theory is used to place the electronic band edge energies of the semiconductor relative to the occupied 1b₁ energy level in water. The application to the specific cases of nonpolar (101¯0 ) facets of GaN and ZnO reveals a significant role for the structural motifs at the interface, including the degree of interface water dissociation and themore » dynamical fluctuations in the interface Zn-O and O-H bond orientations. As a result, these effects contribute up to 0.5 eV.« less

  13. First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces

    SciTech Connect

    Kharche, Neerav; Muckerman, James T.; Hybertsen, Mark S.

    2014-10-21

    A first-principles approach is demonstrated for calculating the relationship between an aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynamics, yielding the interface electrostatic dipole. The GW approach from many-body perturbation theory is used to place the electronic band edge energies of the semiconductor relative to the occupied 1benergy level in water. The application to the specific cases of nonpolar (101¯0 ) facets of GaN and ZnO reveals a significant role for the structural motifs at the interface, including the degree of interface water dissociation and the dynamical fluctuations in the interface Zn-O and O-H bond orientations. As a result, these effects contribute up to 0.5 eV.

  14. First-Principles Approach to Calculating Energy Level Alignment at Aqueous Semiconductor Interfaces

    NASA Astrophysics Data System (ADS)

    Kharche, Neerav; Muckerman, James T.; Hybertsen, Mark S.

    2014-10-01

    A first-principles approach is demonstrated for calculating the relationship between an aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynamics, yielding the interface electrostatic dipole. The GW approach from many-body perturbation theory is used to place the electronic band edge energies of the semiconductor relative to the occupied 1b1 energy level in water. The application to the specific cases of nonpolar (101 ¯0) facets of GaN and ZnO reveals a significant role for the structural motifs at the interface, including the degree of interface water dissociation and the dynamical fluctuations in the interface Zn-O and O-H bond orientations. These effects contribute up to 0.5 eV.

  15. Delayed dopamine signaling of energy level builds appetitive long-term memory in Drosophila.

    PubMed

    Musso, Pierre-Yves; Tchenio, Paul; Preat, Thomas

    2015-02-24

    Sensory cues relevant to a food source, such as odors, can be associated with post-ingestion signals related either to food energetic value or toxicity. Despite numerous behavioral studies, a global understanding of the mechanisms underlying these long delay associations remains out of reach. Here, we demonstrate in Drosophila that the long-term association between an odor and a nutritious sugar depends on delayed post-ingestion signaling of energy level. We show at the neural circuit level that the activity of two pairs of dopaminergic neurons is necessary and sufficient to signal energy level to the olfactory memory center. Accordingly, we have identified in these dopaminergic neurons a delayed calcium trace that correlates with appetitive long-term memory formation. Altogether, these findings demonstrate that the Drosophila brain remembers food quality through a two-step mechanism that consists of the integration of olfactory and gustatory sensory information and then post-ingestion energetic value.

  16. Variational Calculations of Ro-Vibrational Energy Levels and Transition Intensities for Tetratomic Molecules

    NASA Technical Reports Server (NTRS)

    Schwenke, David W.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    A description is given of an algorithm for computing ro-vibrational energy levels for tetratomic molecules. The expressions required for evaluating transition intensities are also given. The variational principle is used to determine the energy levels and the kinetic energy operator is simple and evaluated exactly. The computational procedure is split up into the determination of one dimensional radial basis functions, the computation of a contracted rotational-bending basis, followed by a final variational step coupling all degrees of freedom. An angular basis is proposed whereby the rotational-bending contraction takes place in three steps. Angular matrix elements of the potential are evaluated by expansion in terms of a suitable basis and the angular integrals are given in a factorized form which simplifies their evaluation. The basis functions in the final variational step have the full permutation symmetries of the identical particles. Sample results are given for HCCH and BH3.

  17. Black Hole Battery

    NASA Astrophysics Data System (ADS)

    Levin, Janna; D'Orazio, Daniel

    2016-03-01

    Black holes are dark dead stars. Neutron stars are giant magnets. As the neutron star orbits the black hole, an electronic circuit forms that generates a blast of power just before the black hole absorbs the neutron star whole. The black hole battery conceivably would be observable at cosmological distances. Possible channels for luminosity include synchro-curvature radiation, a blazing fireball, or even an unstable, short-lived black hole pulsar. As suggested by Mingarelli, Levin, and Lazio, some fraction of the battery power could also be reprocessed into coherent radio emission to populate a subclass of fast radio bursts.

  18. Quantum cosmological Friedman models with a Yang-Mills field and positive energy levels

    NASA Astrophysics Data System (ADS)

    Gerhardt, Claus

    2010-02-01

    We prove the existence of a spectral resolution of the Wheeler-DeWitt equation when the matter field is provided by a Yang-Mills field, with or without mass term, if the spatial geometry of the underlying spacetime is homothetic to {\\bb R}^{3} . The energy levels of the resulting quantum model, i.e. the eigenvalues of the corresponding self-adjoint Hamiltonian with a pure point spectrum, are strictly positive. This work has been supported by the DFG.

  19. Advanced Quantum Mechanical Calculation of Superheavy Ions: Energy Levels, Radiation and Finite Nuclear Size Effects

    SciTech Connect

    Glushkov, Alexander V.; Gurnitskaya, E.P.; Loboda, A.V.

    2005-10-26

    Advanced quantum approach to calculation of spectra for superheavy ions with an account of relativistic, correlation, nuclear, radiative effects is developed and based on the gauge invariant quantum electrodynamics (QED) perturbation theory (PT). The Lamb shift polarization part is calculated in the Ueling approximation, self-energy part is defined within a new non-PT procedure of Ivanov-Ivanova. Calculation results for energy levels, hyperfine structure parameters of some heavy elements ions are presented.

  20. Engineering frontier energy levels in donor-acceptor fluoren-9-ylidene malononitriles versus fluorenones.

    PubMed

    Homnick, Paul J; Tinkham, Jonathan S; Devaughn, Raymond; Lahti, Paul M

    2014-01-16

    Donor-acceptor molecules incorporating fluoren-9-ylidene malononitrile acceptor units conjugated to trimethoxystyrene and/or diarylamine donor units were synthesized, and their electronic spectral properties and electrochemical behaviors were evaluated by comparison to those of the analogous fluorenones. Frontier energy level and optical transition energy trends are explained based on a quantitative, modular donor-acceptor interaction model. A connectivity effect on absorption transition moment strength is also described.

  1. Energy Levels and Branching Ratios of Tm3+ in Ten Garnet Laser Materials

    DTIC Science & Technology

    1991-04-01

    Judd - Ofelt parameters for Tm 3 + in garnets............................................... 8 3. Energy levels of the 1H, and 3 F4 multiplets of Tm 3...electric dipole line strengths, Sed, are from et al [7] were used to calculate the Judd - Ofelt table 6 of that reference. The branching ratio for parameters...while f14 approximately equals the T--- experimental values, and the calculated Ql6 is ij T) ij(6) approximately five times too large. Judd - Ofelt T

  2. Calculations of energy levels and lifetimes of low-lying states of barium and radium

    SciTech Connect

    Dzuba, V. A.; Ginges, J. S. M.

    2006-03-15

    We use the configuration-interaction method and many-body perturbation theory to perform accurate calculations of energy levels, transition amplitudes, and lifetimes of low-lying states of barium and radium. Calculations for radium are needed for the planning of measurements of parity- and time-invariance-violating effects which are strongly enhanced in this atom. Calculations for barium are used to control the accuracy of the calculations.

  3. Influence of lanthanide ion energy levels on luminescence of corresponding metalloporphyrins.

    PubMed

    Zhao, Huimin; Zang, Lixin; Guo, Chengshan

    2017-03-15

    Lanthanide (Ln) porphyrins exhibit diverse luminescence properties that have not been fully explained yet. A series of Ln ions (Ln ions = La(3+), Ce(3+), Pr(3+), Nd(3+), Sm(3+), Eu(3+), Gd(3+), Tb(3+), Dy(3+), Ho(3+), Er(3+), Tm(3+), Yb(3+), and Lu(3+)) were coordinated with hematoporphyrin monomethyl ether (HMME), and their luminescence properties and related differences were studied. Spectral analysis indicated that all Ln-HMMEs exhibit fluorescence emission. Gd- and Lu-HMMEs were the only lanthanide-HMMEs displaying strong molecular π-π room-temperature phosphorescence (RTP) with quantum yield ΦP > 10(-3). Tb(3+) can also induce RTP from HMME but ΦP of Tb-HMME is much smaller (ΦP ∼ 10(-4)). The observed luminescence property differences were analyzed in detail, focusing on the 4f energy levels of Ln ions. These levels mostly lie below the lowest singlet (S1) and triplet (T1) excited states of HMME, resulting in energy transfer from the T1 state in HMME to Ln ions and, therefore, in the absence of RTP from the corresponding metalloporphyrins. Gd(3+) and Lu(3+) are the only lanthanide ions not possessing such 4f energy levels, avoiding T1 quenching in Gd- and Lu-HMMEs. Although Tb(3+) has low-lying 4f energy levels, the corresponding transition from the ground state is partly forbidden, resulting in weak energy transfer from HMME to Tb(3+) that accounts for the low RTP quantum yield of the corresponding complex. Thus, our results indicate that the luminescence property differences of lanthanide porphyrins are due to the disparate energy levels of the Ln ions.

  4. Higher-order JWKB expressions for the energy levels and the wavefunction at the origin

    SciTech Connect

    Pasupathy, J.; Singh, V.

    1980-09-01

    An exact quantization condition is derived for the energy levels of a particle in a radial potential assumed finite at the origin. This is used to derive corrections to the semiclassical JWKB quantization condition. The normalization integral of the wavefunction is further related to the energy derivative of wavefunction at origin and use this expression to derive the corrections to the semiclassical JWKB expressions for the wavefunction at origin. An application to upsilon leptonic decay width is also given.

  5. Synergistic effect of fluorination on molecular energy level modulation in highly efficient photovoltaic polymers.

    PubMed

    Zhang, Maojie; Guo, Xia; Zhang, Shaoqing; Hou, Jianhui

    2014-02-01

    The synergistic effect of fluorination on molecular energy level modulation is realized by introducing fluorine atoms onto both the donor and the acceptor moieties in a D-A polymer, and as a result, the polymer solar cell device based on the trifluorinated polymer, PBT-3F, shows a high efficiency of 8.6%, under illumination of AM 1.5G, 100 mW cm(-) (2) . © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. The vibrational energy levels and dissociation energy of O2/+/ /X 2 Pi g/

    NASA Technical Reports Server (NTRS)

    Samson, J. A. R.; Gardner, J. L.

    1977-01-01

    The absolute vibrational energy levels of the X 2 Pi g state of O2(+) have been determined by the method of photoelectron spectroscopy in the range nu = 0-25. The precision of the method is comparable to that of conventional high resolution optical spectroscopy. The dissociation energy obtained by a linear extrapolation of the vibrational separations is found to be 6.67 plus or minus 0.18 eV.

  7. Effect of a metallic gate on the energy levels of a shallow donor

    SciTech Connect

    Slachmuylders, A. F.; Partoens, B.; Peeters, F. M.; Magnus, W.

    2008-02-25

    We have investigated the effect of a metallic gate on the bound states of a shallow donor located near the gate. We calculate the energy spectrum as a function of the distance between the metallic gate and the donor and find an anticrossing behavior in the energy levels for certain distances. We show how a transverse electric field can tune the average position of the electron with respect to the metallic gate and the impurity.

  8. Effect of acidity on the energy level of curcumin dye extracted from Curcuma longa L.

    NASA Astrophysics Data System (ADS)

    Agustia, Yuda Virgantara; Suyitno, Arifin, Zainal; Sutanto, Bayu

    2016-03-01

    The purpose of this research is to investigate the effect of acidity on the energy level of curcumin dye. The natural dye, curcumin, was synthesized from Curcuma longa L. using a simple extraction technique. The purification of curcumin dye was conducted in a column of chromatography and its characteristics were studied. Next, the purified curcumin dye was added by benzoic acids until various acidities of 3.0, 3.5, 4.0, 4.5, and 5.0. The absorbance spectra and the functionality groups found in the dyes were detected by ultraviolet-visible spectroscopy and Fourier-transform infrared spectroscopy, respectively. Meanwhile, the energy level of the dyes, EHOMO and ELUMO was measured by cyclic voltammetry. The best energy level of curcumin dye was achieved at pH 3.5 where Ered = -0.37V, ELUMO = -4.28 eV, Eox = 1.15V, EHOMO = -5.83 eV, and Eband gap = 1.55 eV. Therefore, the purified curcumin dye added by benzoic acid was promising for sensitizing the dye-sensitized solar cells.

  9. Crystal field parameters and energy levels scheme of trivalent chromium doped BSO

    SciTech Connect

    Petkova, P.; Andreici, E.-L.; Avram, N. M.

    2014-11-24

    The aim of this paper is to give an analysis of crystal field parameters and energy levels schemes for the above doped material, in order to give a reliable explanation for experimental data. The crystal field parameters have been modeled in the frame of Exchange Charge Model (ECM) of the crystal field theory, taken into account the geometry of systems, with actually site symmetry of the impurity ions. The effect of the charges of the ligands and covalence bonding between chromium cation and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the crystal field parameters we simulated the scheme of energy levels of chromium ions by diagonalizing the matrix of the Hamiltonian of the doped crystal. The obtained energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison with experiment shows that the results are quite satisfactory which justify the model and simulation scheme used for the title system.

  10. Pronounced polarization-induced energy level shifts at boundaries of organic semiconductor nanostructures

    PubMed Central

    Cochrane, K. A.; Schiffrin, A.; Roussy, T. S.; Capsoni, M.; Burke, S. A.

    2015-01-01

    Organic semiconductor devices rely on the movement of charge at and near interfaces, making an understanding of energy level alignment at these boundaries an essential element of optimizing materials for electronic and optoelectronic applications. Here we employ low temperature scanning tunneling microscopy and spectroscopy to investigate a model system: two-dimensional nanostructures of the prototypical organic semiconductor, PTCDA (3,4,9,10-perylenetetracarboxylic dianhydride) adsorbed on NaCl (2 ML)/Ag(111). Pixel-by-pixel scanning tunneling spectroscopy allows mapping of occupied and unoccupied electronic states across these nanoislands with sub-molecular spatial resolution, revealing strong electronic differences between molecules at the edges and those in the centre, with energy level shifts of up to 400 meV. We attribute this to the change in electrostatic environment at the boundaries of clusters, namely via polarization of neighbouring molecules. The observation of these strong shifts illustrates a crucial issue: interfacial energy level alignment can differ substantially from the bulk electronic structure in organic materials. PMID:26440933

  11. Variational calculation of highly excited rovibrational energy levels of H2O2.

    PubMed

    Polyansky, Oleg L; Kozin, Igor N; Ovsyannikov, Roman I; Małyszek, Paweł; Koput, Jacek; Tennyson, Jonathan; Yurchenko, Sergei N

    2013-08-15

    Results are presented for highly accurate ab initio variational calculation of the rotation-vibration energy levels of H2O2 in its electronic ground state. These results use a recently computed potential energy surface and the variational nuclear-motion programs WARV4, which uses an exact kinetic energy operator, and TROVE, which uses a numerical expansion for the kinetic energy. The TROVE calculations are performed for levels with high values of rotational excitation, J up to 35. The purely ab initio calculations of the rovibrational energy levels reproduce the observed levels with a standard deviation of about 1 cm(-1), similar to that of the J = 0 calculation, because the discrepancy between theory and experiment for rotational energies within a given vibrational state is substantially determined by the error in the vibrational band origin. Minor adjustments are made to the ab initio equilibrium geometry and to the height of the torsional barrier. Using these and correcting the band origins using the error in J = 0 states lowers the standard deviation of the observed-calculated energies to only 0.002 cm(-1) for levels up to J = 10 and 0.02 cm(-1) for all experimentally known energy levels, which extend up to J = 35.

  12. Effect of acidity on the energy level of curcumin dye extracted from Curcuma longa L

    SciTech Connect

    Agustia, Yuda Virgantara Suyitno, Sutanto, Bayu; Arifin, Zainal

    2016-03-29

    The purpose of this research is to investigate the effect of acidity on the energy level of curcumin dye. The natural dye, curcumin, was synthesized from Curcuma longa L. using a simple extraction technique. The purification of curcumin dye was conducted in a column of chromatography and its characteristics were studied. Next, the purified curcumin dye was added by benzoic acids until various acidities of 3.0, 3.5, 4.0, 4.5, and 5.0. The absorbance spectra and the functionality groups found in the dyes were detected by ultraviolet-visible spectroscopy and Fourier-transform infrared spectroscopy, respectively. Meanwhile, the energy level of the dyes, E{sub HOMO} and E{sub LUMO} was measured by cyclic voltammetry. The best energy level of curcumin dye was achieved at pH 3.5 where E{sub red} = −0.37V, E{sub LUMO} = −4.28 eV, E{sub ox} = 1.15V, E{sub HOMO} = −5.83 eV, and E{sub band} {sub gap} = 1.55 eV. Therefore, the purified curcumin dye added by benzoic acid was promising for sensitizing the dye-sensitized solar cells.

  13. Resonant nature of intrinsic defect energy levels in PbTe revealed by infrared photoreflectance spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Bingpo; Cai, Chunfeng; Jin, Shuqiang; Ye, Zhenyu; Wu, Huizhen; Qi, Zhen

    2014-07-01

    Step-scan Fourier-transform infrared photoreflectance and modulated photoluminescence spectroscopy were used to characterize the optical transitions of the epitaxial PbTe thin film grown by molecular beam epitaxy on BaF2 (111) substrate in the vicinity of energy gap of lead telluride at 77 K. It is found that the intrinsic defect energy levels in the electronic structure are of resonant nature. The Te-vacancy energy level is located above the conduction band minimum by 29.1 meV. Another defect (VX) energy level situated below valance band maximum by 18.1 meV is also revealed. Whether it is associated with the Pb vacancy is still not clear. It might also be related to the misfit dislocations stemming from the lattice mismatch between PbTe and BaF2 substrate. The experimental results support the theory prediction (N. J. Parada and G. W. Pratt, Jr., Phys. Rev. Lett. 22, 180 (1969), N. J. Parada, Phys. Rev. B 3, 2042 (1971)) and are consistent with the reported Hall experimental results (G. Bauer, H. Burkhard, H. Heinrich, and A. Lopez-Otero, J. Appl. Phys. 47, 1721 (1976)).

  14. Energy Level Alignment at Aqueous GaN and ZnO Interfaces

    NASA Astrophysics Data System (ADS)

    Hybertsen, Mark S.; Kharche, Neerav; Muckerman, James T.

    2014-03-01

    Electronic energy level alignment at semiconductor-electrolyte interfaces is fundamental to electrochemical activity. Motivated in particular by the search for new materials that can be more efficient for photocatalysis, we develop a first principles method to calculate this alignment at aqueous interfaces and demonstrate it for the specific case of non-polar GaN and ZnO interfaces with water. In the first step, density functional theory (DFT) based molecular dynamics is used to sample the physical interface structure and to evaluate the electrostatic potential step at the interface. In the second step, the GW approach is used to evaluate the reference electronic energy level separately in the bulk semiconductor (valence band edge energy) and in bulk water (the 1b1 energy level), relative to the internal electrostatic energy reference. Use of the GW approach naturally corrects for errors inherent in the use of Kohn-Sham energy eigenvalues to approximate the electronic excitation energies in each material. With this predicted interface alignment, specific redox levels in water, with potentials known relative to the 1b1 level, can then be compared to the semiconductor band edge positions. Our results will be discussed in the context of experiments in which photoexcited GaN and ZnO drive the hydrogen evolution reaction. Research carried out at Brookhaven National Laboratory under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy.

  15. Pronounced polarization-induced energy level shifts at boundaries of organic semiconductor nanostructures

    NASA Astrophysics Data System (ADS)

    Cochrane, K. A.; Schiffrin, A.; Roussy, T. S.; Capsoni, M.; Burke, S. A.

    2015-10-01

    Organic semiconductor devices rely on the movement of charge at and near interfaces, making an understanding of energy level alignment at these boundaries an essential element of optimizing materials for electronic and optoelectronic applications. Here we employ low temperature scanning tunneling microscopy and spectroscopy to investigate a model system: two-dimensional nanostructures of the prototypical organic semiconductor, PTCDA (3,4,9,10-perylenetetracarboxylic dianhydride) adsorbed on NaCl (2 ML)/Ag(111). Pixel-by-pixel scanning tunneling spectroscopy allows mapping of occupied and unoccupied electronic states across these nanoislands with sub-molecular spatial resolution, revealing strong electronic differences between molecules at the edges and those in the centre, with energy level shifts of up to 400 meV. We attribute this to the change in electrostatic environment at the boundaries of clusters, namely via polarization of neighbouring molecules. The observation of these strong shifts illustrates a crucial issue: interfacial energy level alignment can differ substantially from the bulk electronic structure in organic materials.

  16. Energy transfer and energy level decay processes of Er3+ in water-free tellurite glass

    NASA Astrophysics Data System (ADS)

    Gomes, Laercio; Rhonehouse, Daniel; Nguyen, Dan T.; Zong, Jie; Chavez-Pirson, Arturo; Jackson, Stuart D.

    2015-12-01

    This report details the fundamental spectroscopic properties of a new class of water-free tellurite glasses studied for future applications in mid-infrared light generation. The fundamental excited state decay processes relating to the 4I11/2 → 4I13/2 transition in singly Er3+-doped Tellurium Zinc Lanthanum glass have been investigated using time-resolved fluorescence spectroscopy. The excited state dynamics was analyzed for Er2O3 concentrations between 0.5 mol% and 4 mol%. Selective laser excitation of the 4I11/2 energy level at 972 nm and selective laser excitation of the 4I13/2 energy level at 1485 nm has established that in a similar way to other Er3+-doped glasses, a strong energy-transfer upconversion by way of a dipole-dipole interaction between two excited erbium ions in the 4I13/2 level populates the 4I11/2 upper laser level of the 3 μm transition. The 4I13/2 and 4I11/2 energy levels emitted luminescence with peaks located at 1532 nm and 2734 nm respectively with luminescence efficiencies of 100% and 8% for the higher (4 mol.%) concentration sample. Results from numerical simulations showed that a population inversion is reached at a threshold pumping intensity of ∼57 kW cm-2 for a CW laser pump at 976 nm for [Er2O3] = 2 mol.%.

  17. Ion holes in the hydrodynamic regime in ultracold neutral plasmas

    SciTech Connect

    McQuillen, P.; Castro, J.; Strickler, T.; Bradshaw, S. J.; Killian, T. C.

    2013-04-15

    We describe the creation of localized density perturbations, or ion holes, in an ultracold neutral plasma in the hydrodynamic regime, and show that the holes propagate at the local ion acoustic wave speed. We also observe the process of hole splitting, which results from the formation of a density depletion initially at rest in the plasma. One-dimensional, two-fluid hydrodynamic simulations describe the results well. Measurements of the ion velocity distribution also show the effects of the ion hole and confirm the hydrodynamic conditions in the plasma.

  18. Effect of Femtosecond Laser Energy Level on Corneal Stromal Cell Death and Inflammation

    PubMed Central

    de Medeiros, Fabricio Witzel; Kaur, Harmeet; Agrawal, Vandana; Chaurasia, Shyam S.; Hammel, Jefferey; Dupps, William J.; Wilson, Steven E.

    2009-01-01

    PURPOSE To analyze the effects of variations in femtosecond laser energy level on corneal stromal cell death and inflammatory cell influx following flap creation in a rabbit model. METHODS Eighteen rabbits were stratified in three different groups according to level of energy applied for flap creation (six animals per group). Three different energy levels were chosen for both the lamellar and side cut: 2.7 μJ (high energy), 1.6 μJ (intermediate energy), and 0.5 μJ (low energy) with a 60 KHz, model II, femtosecond laser (IntraLase). The opposite eye of each rabbit served as a control. At the 24-hour time point after surgery, all rabbits were euthanized and the corneoscleral rims were analyzed for the levels of cell death and inflammatory cell influx with the terminal uridine deoxynucleotidyl transferase dUTP nick end labeling (TUNEL) assay and immunocytochemistry for monocyte marker CD11b, respectively. RESULTS The high energy group (31.9±7.1 [standard error of mean (SEM) 2.9]) had significantly more TUNEL-positive cells in the central flap compared to the intermediate (22.2±1.9 [SEM 0.8], P=.004), low (17.9±4.0 [SEM 1.6], P≤.001), and control eye (0.06±0.02 [SEM 0.009], P≤.001) groups. The intermediate and low energy groups also had significantly more TUNEL-positive cells than the control groups (P≤.001). The difference between the intermediate and low energy levels was not significant (P=.56). The mean for CD11b-positive cells/400× field at the flap edge was 26.2±29.3 (SEM 12.0), 5.8±4.1 (SEM 1.7), 1.7±4.1 (SEM 1.7), and 0.0±0.0 (SEM 0.0) for high energy, intermediate energy, low energy, and control groups, respectively. Only the intermediate energy group showed statistically more inflammatory cells than control eyes (P=.015), most likely due to variability between eyes. CONCLUSIONS Higher energy levels trigger greater cell death when the femtosecond laser is used to create corneal flaps. Greater corneal inflammatory cell infiltration is observed

  19. The program LOPT for least-squares optimization of energy levels

    NASA Astrophysics Data System (ADS)

    Kramida, A. E.

    2011-02-01

    The article describes a program that solves the least-squares optimization problem for finding the energy levels of a quantum-mechanical system based on a set of measured energy separations or wavelengths of transitions between those energy levels, as well as determining the Ritz wavelengths of transitions and their uncertainties. The energy levels are determined by solving the matrix equation of the problem, and the uncertainties of the Ritz wavenumbers are determined from the covariance matrix of the problem. Program summaryProgram title: LOPT Catalogue identifier: AEHM_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHM_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 19 254 No. of bytes in distributed program, including test data, etc.: 427 839 Distribution format: tar.gz Programming language: Perl v.5 Computer: PC, Mac, Unix workstations Operating system: MS Windows (XP, Vista, 7), Mac OS X, Linux, Unix (AIX) RAM: 3 Mwords or more Word size: 32 or 64 Classification: 2.2 Nature of problem: The least-squares energy-level optimization problem, i.e., finding a set of energy level values that best fits the given set of transition intervals. Solution method: The solution of the least-squares problem is found by solving the corresponding linear matrix equation, where the matrix is constructed using a new method with variable substitution. Restrictions: A practical limitation on the size of the problem N is imposed by the execution time, which scales as N and depends on the computer. Unusual features: Properly rounds the resulting data and formats the output in a format suitable for viewing with spreadsheet editing software. Estimates numerical errors resulting from the limited machine precision. Running time: 1 s for N=100, or 60 s for N=400 on a typical PC.

  20. Black Holes (With 16 figures)

    NASA Astrophysics Data System (ADS)

    Novikov, Igor

    Astrophysics of Black Holes Introduction The Origin of Stellar Black Holes A Nonrotating Black Hole Introduction Schwarzschild Gravitational Field Motion of Photons Along the Radial Direction Radial Motion of Nonrelativistic Particles The Puzzle of the Gravitational Radius R and T Regions Two Types of T-Regions Gravitational Collapse and White Holes Eternal Black Hole? Black Hole Celestial Mechanics Circular Motion Around a Black Hole Gravitational Capture of Particles by a Black Hole Corrections for Gravitational Radiation A Rotating Black Hole Introduction Gravitational Field of a Rotating Black Hole Specific Reference Frames General Properties of the Spacetime of a Rotating Black Hole; - Spacetime Inside the Horizon Celestial Mechanics of a Rotating Black Hole Motion of Particle in the Equatorial Plane Motion of Particles off the Equatorial Plane Peculiarities of the Gravitational Capture of Bodies by a Rotating - Black Hole Electromagnetic Fields Near a Black Hole Introduction Maxwell's Equations in the Neighborhood of a Rotating Black Hole Stationary Electrodynamics Boundary Conditions at the Event Horizon Electromagnetic Fields in Vacuum Magnetosphere of a Black Hole Some Aspects of Physics of Black Holes, Wormholes, and Time Machines Observational Appearence of the Black Holes in the Universe Black Holes in the Interstellar Medium Disk Accretion Black Holes in Stellar Binary Systems Black Holes in Galactic Centers Dynamical Evidence for Black Holes in Galaxy Nuclei Primordial Black Holes Acknowledgements References

  1. Information retrieval from black holes

    NASA Astrophysics Data System (ADS)

    Lochan, Kinjalk; Chakraborty, Sumanta; Padmanabhan, T.

    2016-08-01

    It is generally believed that, when matter collapses to form a black hole, the complete information about the initial state of the matter cannot be retrieved by future asymptotic observers, through local measurements. This is contrary to the expectation from a unitary evolution in quantum theory and leads to (a version of) the black hole information paradox. Classically, nothing else, apart from mass, charge, and angular momentum is expected to be revealed to such asymptotic observers after the formation of a black hole. Semiclassically, black holes evaporate after their formation through the Hawking radiation. The dominant part of the radiation is expected to be thermal and hence one cannot know anything about the initial data from the resultant radiation. However, there can be sources of distortions which make the radiation nonthermal. Although the distortions are not strong enough to make the evolution unitary, these distortions carry some part of information regarding the in-state. In this work, we show how one can decipher the information about the in-state of the field from these distortions. We show that the distortions of a particular kind—which we call nonvacuum distortions—can be used to fully reconstruct the initial data. The asymptotic observer can do this operationally by measuring certain well-defined observables of the quantum field at late times. We demonstrate that a general class of in-states encode all their information content in the correlation of late time out-going modes. Further, using a 1 +1 dimensional dilatonic black hole model to accommodate backreaction self-consistently, we show that observers can also infer and track the information content about the initial data, during the course of evaporation, unambiguously. Implications of such information extraction are discussed.

  2. A detailed analysis of the energy levels configuration existing in the band gap of supersaturated silicon with titanium for photovoltaic applications

    SciTech Connect

    Pérez, E.; Dueñas, S.; Castán, H.; García, H.; Bailón, L.; Montero, D.; García-Hernansanz, R.; García-Hemme, E.; González-Díaz, G.; Olea, J.

    2015-12-28

    The energy levels created in supersaturated n-type silicon substrates with titanium implantation in the attempt to create an intermediate band in their band-gap are studied in detail. Two titanium ion implantation doses (10{sup 13 }cm{sup -2} and 10{sup 14 }cm{sup -2}) are studied in this work by conductance transient technique and admittance spectroscopy. Conductance transients have been measured at temperatures of around 100 K. The particular shape of these transients is due to the formation of energy barriers in the conduction band, as a consequence of the band-gap narrowing induced by the high titanium concentration. Moreover, stationary admittance spectroscopy results suggest the existence of different energy level configuration, depending on the local titanium concentration. A continuum energy level band is formed when titanium concentration is over the Mott limit. On the other hand, when titanium concentration is lower than the Mott limit, but much higher than the donor impurity density, a quasi-continuum energy level distribution appears. Finally, a single deep center appears for low titanium concentration. At the n-type substrate, the experimental results obtained by means of thermal admittance spectroscopy at high reverse bias reveal the presence of single levels located at around E{sub c}-425 and E{sub c}-275 meV for implantation doses of 10{sup 13 }cm{sup −2} and 10{sup 14 }cm{sup −2}, respectively. At low reverse bias voltage, quasi-continuously distributed energy levels between the minimum of the conduction bands, E{sub c} and E{sub c}-450 meV, are obtained for both doses. Conductance transients detected at low temperatures reveal that the high impurity concentration induces a band gap narrowing which leads to the formation of a barrier in the conduction band. Besides, the relationship between the activation energy and the capture cross section values of all the energy levels fits very well to the Meyer-Neldel rule. As it is known

  3. A detailed analysis of the energy levels configuration existing in the band gap of supersaturated silicon with titanium for photovoltaic applications

    NASA Astrophysics Data System (ADS)

    Pérez, E.; Dueñas, S.; Castán, H.; García, H.; Bailón, L.; Montero, D.; García-Hernansanz, R.; García-Hemme, E.; Olea, J.; González-Díaz, G.

    2015-12-01

    The energy levels created in supersaturated n-type silicon substrates with titanium implantation in the attempt to create an intermediate band in their band-gap are studied in detail. Two titanium ion implantation doses (1013 cm-2 and 1014 cm-2) are studied in this work by conductance transient technique and admittance spectroscopy. Conductance transients have been measured at temperatures of around 100 K. The particular shape of these transients is due to the formation of energy barriers in the conduction band, as a consequence of the band-gap narrowing induced by the high titanium concentration. Moreover, stationary admittance spectroscopy results suggest the existence of different energy level configuration, depending on the local titanium concentration. A continuum energy level band is formed when titanium concentration is over the Mott limit. On the other hand, when titanium concentration is lower than the Mott limit, but much higher than the donor impurity density, a quasi-continuum energy level distribution appears. Finally, a single deep center appears for low titanium concentration. At the n-type substrate, the experimental results obtained by means of thermal admittance spectroscopy at high reverse bias reveal the presence of single levels located at around Ec-425 and Ec-275 meV for implantation doses of 1013 cm-2 and 1014 cm-2, respectively. At low reverse bias voltage, quasi-continuously distributed energy levels between the minimum of the conduction bands, Ec and Ec-450 meV, are obtained for both doses. Conductance transients detected at low temperatures reveal that the high impurity concentration induces a band gap narrowing which leads to the formation of a barrier in the conduction band. Besides, the relationship between the activation energy and the capture cross section values of all the energy levels fits very well to the Meyer-Neldel rule. As it is known, the Meyer-Neldel rule typically appears in processes involving multiple excitations, like

  4. Kinetic models of sub-ion cylindrical magnetic hole

    NASA Astrophysics Data System (ADS)

    Shustov, P. I.; Artemyev, A. V.; Vasko, I. Y.; Yushkov, E. V.

    2016-12-01

    Magnetic holes are magnetoplasma structures very similar to the classical θ-pinch. They are widely observed in the space plasma and identified by the substantial magnetic field depressions on scales from magnetohydrodynamic range to electron scales. In this paper, we develop the kinetic models of cylindrically symmetric magnetic holes with sub-ion scales using two types of charged particle distribution functions (both current-carrying and background plasma populations are included). We demonstrate that developed magnetic holes have configurations very similar to those revealed in the recent spacecraft observations in the Earth magnetosphere: both localized electron currents and strong radial electric fields are found at the magnetic hole boundary. We demonstrate that for realistic plasma parameters, the inclusion of ion currents into the model produces magnetic holes with double-scale magnetic field profile. We find that the magnetic hole depth (amplitude of the magnetic field depression) depends on the magnetic hole typical radius. Possible applications of developed models are discussed.

  5. Effective theory of black holes in the 1/D expansion

    NASA Astrophysics Data System (ADS)

    Emparan, Roberto; Shiromizu, Tetsuya; Suzuki, Ryotaku; Tanabe, Kentaro; Tanaka, Takahiro

    2015-06-01

    The gravitational field of a black hole is strongly localized near its horizon when the number of dimensions D is very large. In this limit, we can effectively replace the black hole with a surface in a background geometry (e.g. Minkowski or Anti-deSitter space). The Einstein equations determine the effective equations that this `black hole surface' (or membrane) must satisfy. We obtain them up to next-to-leading order in 1/ D for static black holes of the Einstein-(A)dS theory. To leading order, and also to next order in Minkowski backgrounds, the equations of the effective theory are the same as soap-film equations, possibly up to a redshift factor. In particular, the Schwarzschild black hole is recovered as a spherical soap bubble. Less trivially, we find solutions for `black droplets', i.e. black holes localized at the boundary of AdS, and for non-uniform black strings.

  6. CPT-hole closure

    USGS Publications Warehouse

    Noce, T.E.; Holzer, T.L.

    2003-01-01

    The long-term stability of deep holes 1.75 inches. (4.4 cm) in diameter by 98.4 feet (30 m) created by cone penetration testing (CPT) was monitored at a site in California underlain by Holocene and Pleistocene age alluvial fan deposits. Portions of the holes remained open both below and above the 28.6-foot (8.7 m)-deep water table for approximately three years, when the experiment was terminated. Hole closure appears to be a very slow process that may take decades in the stiff soils studied here. Other experience suggests holes in softer soils may also remain open. Thus, despite their small diameter, CPT holes may remain open for years and provide paths for rapid migration of contaminants. The observations confirm the need to grout holes created by CPT soundings as well as other direct-push techniques in areas where protection of shallow ground water is important.

  7. Uniformly accelerated black holes

    NASA Astrophysics Data System (ADS)

    Letelier, Patricio S.; Oliveira, Samuel R.

    2001-09-01

    The static and stationary C metric are examined in a generic framework and their interpretations studied in some detail, especially those with two event horizons, one for the black hole and another for the acceleration. We find that (i) the spacetime of an accelerated static black hole is plagued by either conical singularities or a lack of smoothness and compactness of the black hole horizon, (ii) by using standard black hole thermodynamics we show that accelerated black holes have a higher Hawking temperature than Unruh temperature of the accelerated frame, and (iii) the usual upper bound on the product of the mass and acceleration parameters (<1/27) is just a coordinate artifact. The main results are extended to accelerated rotating black holes with no significant changes.

  8. Supermassive Black Holes

    NASA Astrophysics Data System (ADS)

    Loeb, Abraham

    2007-04-01

    Recent data indicates that almost all galaxies possess a supermassive black hole at their center. When gas accretes onto the black hole it heats-up and shines, resulting in the appearance of a bright quasar. The earliest quasars are found to exist only a billion years after the big-bang. I will describe recent observations of both the nearest and the most distant supermassive black holes in the universe. The formation and evolution of the black hole population can be described in the context of popular models for galaxy formation. I will describe the key questions that drive current research on supermassive black holes and present theoretical work on the radiative and hydrodynamic effects that quasars have on their cosmic habitat. Within the coming decade it would be possible to test general relativity by monitoring over time, and possibly even imaging, the polarized emission from hot spots around the black hole in the center of our Galaxy (SgrA*).

  9. Potential energy surface and rovibrational energy levels of the H2-CS van der Waals complex.

    PubMed

    Denis-Alpizar, Otoniel; Stoecklin, Thierry; Halvick, Philippe; Dubernet, Marie-Lise; Marinakis, Sarantos

    2012-12-21

    Owing to its large dipole, astrophysicists use carbon monosulfide (CS) as a tracer of molecular gas in the interstellar medium, often in regions where H(2) is the most abundant collider. Predictions of the rovibrational energy levels of the weakly bound complex CS-H(2) (not yet observed) and also of rate coefficients for rotational transitions of CS in collision with H(2) should help to interpret the observed spectra. This paper deals with the first goal, i.e., the calculation of the rovibrational energy levels. A new four-dimensional intermolecular potential energy surface for the H(2)-CS complex is presented. Ab initio potential energy calculations were carried out at the coupled-cluster level with single and double excitations and a perturbative treatment of triple excitations, using a quadruple-zeta basis set and midbond functions. The potential energy surface was obtained by an analytic fit of the ab initio data. The equilibrium structure of the H(2)-CS complex is found to be linear with the carbon pointing toward H(2) at the intermolecular separation of 8.6 a(o). The corresponding well depth is -173 cm(-1). The potential was used to calculate the rovibrational energy levels of the para-H(2)-CS and ortho-H(2)-CS complexes. The present work provides the first theoretical predictions of these levels. The calculated dissociation energies are found to be 35.9 cm(-1) and 49.9 cm(-1), respectively, for the para and ortho complexes. The second virial coefficient for the H(2)-CS pair has also been calculated for a large range of temperature. These results could be used to assign future experimental spectra and to check the accuracy of the potential energy surface.

  10. Associations Between Neurotransmitter Genes and Fatigue and Energy Levels in Women After Breast Cancer Surgery.

    PubMed

    Eshragh, Jasmine; Dhruva, Anand; Paul, Steven M; Cooper, Bruce A; Mastick, Judy; Hamolsky, Deborah; Levine, Jon D; Miaskowski, Christine; Kober, Kord M

    2017-01-01

    Fatigue is a common problem in oncology patients. Less is known about decrements in energy levels and the mechanisms that underlie both fatigue and energy. In patients with breast cancer, variations in neurotransmitter genes between lower and higher fatigue latent classes and between the higher and lower energy latent classes were evaluated. Patients completed assessments before and monthly for six months after surgery. Growth mixture modeling was used to identify distinct latent classes for fatigue severity and energy levels. Thirty candidate genes involved in various aspects of neurotransmission were evaluated. Eleven single-nucleotide polymorphisms or haplotypes (i.e., ADRB2 rs1042718, BDNF rs6265, COMT rs9332377, CYP3A4 rs4646437, GALR1 rs949060, GCH1 rs3783642, NOS1 rs9658498, NOS1 rs2293052, NPY1R Haplotype A04, SLC6A2 rs17841327, and 5HTTLPR + rs25531 in SLC6A4) were associated with latent class membership for fatigue. Seven single-nucleotide polymorphisms or haplotypes (i.e., NOS1 rs471871, SLC6A1 rs2675163, SLC6A1 Haplotype D01, SLC6A2 rs36027, SLC6A3 rs37022, SLC6A4 rs2020942, and TAC1 rs2072100) were associated with latent class membership for energy. Three of 13 genes (i.e., NOS1, SLC6A2, and SLC6A4) were associated with latent class membership for both fatigue and energy. Molecular findings support the hypothesis that fatigue and energy are distinct, yet related symptoms. Results suggest that a large number of neurotransmitters play a role in the development and maintenance of fatigue and energy levels in breast cancer patients. Copyright © 2016 American Academy of Hospice and Palliative Medicine. Published by Elsevier Inc. All rights reserved.

  11. Experimental Energy Levels of HD18O and D_218O

    NASA Astrophysics Data System (ADS)

    Mikhailenko, S. N.; Naumenko, O. V.; Tashkun, S. A.; Liu, A.-W.; Hu, S.-M.

    2010-06-01

    Extended sets of experimental energy levels of HD18O and D_218O have been obtained as the result of the analysis of recent high-resolution spectra and previously reported data. Spectra of the enriched by deuterium and oxygen-18 water samples were recorded with a Bruker IFS 120HR spectrometer at room temperature in the 1000 - 9200 cm-1 range a,b for this purpose. The RITZ code h was used for analysis of the rotation-vibration transitions and the energy levels determination. New energy levels as well as comparison with previous experimental and theoretical studies will be presented. This work was supported by Grant nos. 06-03-39014 and 10-05-91176 of RFBR (Russia) and by Grant nos. 20903085 and 10574124 of NSFC (China). Work of SNM and SAT was also partly supported by CRDF (USA) Grant RUG1-2954-TO-09 and by RFBR. Grant 09-05-92508. A.-W. Liu et al., J. Mol. Spectrosc. 237, 149-162 (2006). H.-Y. Ni et al., Mol. Phys. 106, 1793-1801 (2008). J. Bellet et al., J. Mol. Spectrosc. 47, 388-402 (1973). J.W.C. Johns, J. Opt. Soc. Am. B2, 1340-1354 (1985). R.A. Toth, J. Mol. Spectrosc. 162, 41-54 (1993). W.F. Wang et al., J. Mol. Spectrosc. 176, 226-228 (1996). R.A. Toth, J. Mol. Structure, 742, 49-68 (2005). S.N. Mikhailenko et al., JQSRT, 110, 597-608 (2009). A. Liu et al., JQSRT, 110, 1781-1800 (2009). O.V. Naumenko et al., JQSRT, 111, 36-44 (2010).

  12. Influence of sulfur oxidation on the absorption and electronic energy levels of poly(thienothiophene) derivatives.

    PubMed

    He, Youjun; Zhang, Maojie; Min, Jie; Zhao, Guangjin; Li, Yongfang

    2009-11-12

    Two poly(thienothiophene) derivatives containing thieno[3,2-b]thiophene-4,4-dioxide unit were synthesized by Pd-catalyzed Stille coupling method. They were poly(3,6-dihexyl-thieno[3,2-b]thiophene-4,4-dioxide vinylene) (P2) and poly(2,5-diyl-3,6-dihexyl-thieno[3,2-b]thiophene-4,4-dioxide)-co-(2,5-diyl-thiophene) (P4). Poly(3,6-dihexyl-thieno[3,2-b] thiophene vinylene) (P1) and poly(2,5-diyl-3,6-dihexyl-thieno[3,2-b] thiophene)-co-(2,5-diyl-thiophene) (P3) were synthesized for comparison with P2 and P4. After sulfur oxidation on the thienothiophene units, the absorption peaks of the polymer solutions were red-shifted from 540 nm of P1 to 625 nm of P2 and from 445 nm of P3 to 520 nm of P4. The absorption peaks of the polymer films were red-shifted more significantly from 542 nm of P1 to 630 nm of P2 and from 480 nm of P3 to 564 nm of P4. The lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) energy levels also decreased a lot after the sulfur oxidation. In comparison with P1, the LUMO and HOMO energy levels of P2 decreased by 0.59 and 0.35 eV, respectively. The levels were 0.87 and 0.39 eV lower in the LUMO and HOMO energy levels of P4 than in that of P3.

  13. The Nearest Black Holes

    NASA Technical Reports Server (NTRS)

    Oliversen, Ronald J. (Technical Monitor); Garcia, M.

    2003-01-01

    The goal of this program is to study black holes, both in our Galaxy and in nearby galaxies. We aim to study both 'stellar mass' x-ray binaries containing black holes (both in our Galaxy and in nearby galaxies), and super-massive black holes in nearby galaxies. This program facilitates this study by funding related travel, computer equipment, and partial salary for a post-doc.

  14. The Nearest Black Holes

    NASA Technical Reports Server (NTRS)

    Garcia, M.; Oliversen, Ronald J. (Technical Monitor)

    2004-01-01

    The goal of this program is to study black holes, both in our Galaxy and in nearby galaxies. We aim to study both 'stellar mass' x-ray binaries containing black holes (both in our Galaxy and in nearby galaxies), and super-massive black holes in nearby galaxies. This program facilitate this study by funding related travel, computer equipment, and partial salary for a post-doc.

  15. The Antarctic ozone hole

    NASA Astrophysics Data System (ADS)

    Molina, Mario J.

    Observations of Antarctic ozone levels and the discovery of a hole in the Antarctic region are examined. The effects of chlorofluorocarbons (CFCs) on the level of stratospheric ozone are analyzed. Three cycles explaining the cause of ozone depletion in the poles are proposed. A comparison of field data and proposed depletion cycles reveals that the chemical origin of the ozone hole is due to CFCs. The potential global effects of the Antarctic ozone hole are discussed.

  16. COMPREHENSIVE OBSERVATIONS OF THE ULTRAVIOLET SPECTRUM AND IMPROVED ENERGY LEVELS FOR SINGLY IONIZED CHROMIUM (Cr II)

    SciTech Connect

    Sansonetti, Craig J.; Nave, Gillian; Reader, Joseph; Kerber, Florian

    2012-10-15

    We report new observations of the spectrum of singly ionized chromium (Cr II) in the region 1142-3954 A. The spectra were recorded with the National Institute of Standards and Technology 10.7 m normal-incidence vacuum spectrograph and FT700 vacuum ultraviolet Fourier transform spectrometer. More than 3600 lines are classified as transitions among 283 even and 368 odd levels. The new spectral data are used to re-optimize the energy levels, reducing their uncertainties by a typical factor of 20.

  17. Comprehensive Observations of the Ultraviolet Spectrum and Improved Energy Levels for Singly Ionized Chromium (Cr II)

    NASA Astrophysics Data System (ADS)

    Sansonetti, Craig J.; Nave, Gillian; Reader, Joseph; Kerber, Florian

    2012-10-01

    We report new observations of the spectrum of singly ionized chromium (Cr II) in the region 1142-3954 Å. The spectra were recorded with the National Institute of Standards and Technology 10.7 m normal-incidence vacuum spectrograph and FT700 vacuum ultraviolet Fourier transform spectrometer. More than 3600 lines are classified as transitions among 283 even and 368 odd levels. The new spectral data are used to re-optimize the energy levels, reducing their uncertainties by a typical factor of 20.

  18. The energy level alignment at metal–molecule interfaces using Wannier–Koopmans method

    SciTech Connect

    Ma, Jie; Liu, Zhen-Fei; Neaton, Jeffrey B.; Wang, Lin-Wang

    2016-06-30

    We apply a recently developed Wannier-Koopmans method (WKM), based on density functional theory (DFT), to calculate the electronic energy level alignment at an interface between a molecule and metal substrate. We consider two systems: benzenediamine on Au (111), and a bipyridine-Au molecular junction. The WKM calculated level alignment agrees well with the experimental measurements where available, as well as previous GW and DFT + Σ results. These results suggest that the WKM is a general approach that can be used to correct DFT eigenvalue errors, not only in bulk semiconductors and isolated molecules, but also in hybrid interfaces.

  19. Electron Energy Levels in a Quantum Well within an In-Plane Magnetic Field

    DTIC Science & Technology

    1989-06-01

    papers in theory [6-91 as well as in experiment[10-12] which study the effect of in-plane magnetic fields on two-dimensional systems. Recently Klama(8... Field by0) O H. R. Lee, H. G. Oh, Thomas F. George and C. I. Um N S Prepared for Publication O in S Journal of Applied Physics Departments of Chemistry...Arlington, Virginia 22217 11. TITLE (Include Security Classification) Electron Energy Levels in a Quantum Well Within an In-Plane Magnetic Field 12

  20. Accuracy of G W for calculating defect energy levels in solids

    NASA Astrophysics Data System (ADS)

    Chen, Wei; Pasquarello, Alfredo

    2017-07-01

    The accuracy of G W in the determination of defect energy levels is assessed through calculations on a set of well-characterized point defects in semiconductors: the As antisite in GaAs, the substitutional Mg in GaN, the interstitial C in Si, the Si dangling bond, and the Si split-vacancy complex in diamond. We show that the G W scheme achieves a reliable description of charge transition levels, but the overall accuracy is comparable to that of hybrid-functional calculations.

  1. Wavelengths, Transition Probabilities, and Energy Levels for the Spectrum of Neutral Strontium (Sr I)

    NASA Astrophysics Data System (ADS)

    Sansonetti, J. E.; Nave, G.

    2010-09-01

    Following a critical review of spectroscopic data for neutral strontium (Z=38), the energy levels, with designations and uncertainties, have been tabulated. Wavelengths with classifications, intensities, and transition probabilities have also been reviewed. In addition, the 5s S1/22, 4d D3/22, and 4d D5/22 ionization energies have been listed. A summary of the current state of measurements of the SrI 5s2 S01-5s5p P0∘3, F =9/2 atomic clock transition, and other isotopic observations has also been included.

  2. The energy level alignment at metal–molecule interfaces using Wannier–Koopmans method

    SciTech Connect

    Ma, Jie; Wang, Lin-Wang; Liu, Zhen-Fei; Neaton, Jeffrey B.

    2016-06-27

    We apply a recently developed Wannier–Koopmans method (WKM), based on density functional theory (DFT), to calculate the electronic energy level alignment at an interface between a molecule and metal substrate. We consider two systems: benzenediamine on Au (111), and a bipyridine-Au molecular junction. The WKM calculated level alignment agrees well with the experimental measurements where available, as well as previous GW and DFT + Σ results. Our results suggest that the WKM is a general approach that can be used to correct DFT eigenvalue errors, not only in bulk semiconductors and isolated molecules, but also in hybrid interfaces.

  3. Corrections to the energy levels of a spin-zero particle bound in a strong field

    SciTech Connect

    Lee, R. N.; Milstein, A. I.; Karshenboim, S. G.

    2006-01-15

    Formulas for the corrections to the energy levels and wave functions of a spin-zero particle bound in a strong field are derived. The general case of the sum of a Lorentz-scalar potential and zero component of a Lorentz-vector potential is considered. The forms of the corrections differ essentially from those for spin-(1/2) particles. As an example of application of our results, we evaluated the electric polarizability of a ground state of a spin-zero particle bound in a strong Coulomb field.

  4. Electrochemical considerations for determining absolute frontier orbital energy levels of conjugated polymers for solar cell applications.

    PubMed

    Cardona, Claudia M; Li, Wei; Kaifer, Angel E; Stockdale, David; Bazan, Guillermo C

    2011-05-24

    Narrow bandgap conjugated polymers in combination with fullerene acceptors are under intense investigation in the field of organic photovoltaics (OPVs). The open circuit voltage, and thereby the power conversion efficiency, of the devices is related to the offset of the frontier orbital energy levels of the donor and acceptor components, which are widely determined by cyclic voltammetry. Inconsistencies have appeared in the use of the ferrocenium/ferrocene (Fc + /Fc) redox couple, as well as the values used for the absolute potentials of standard electrodes, which can complicate the comparison of materials properties and determination of structure/property relationships.

  5. [Selective excitation spectra and energy level structure of Dy3+:ThO2 crystal].

    PubMed

    Yin, M; Krupa, J C

    2001-08-01

    Dy3+:ThO2 crystal was grown by the flux technique for the first time. The emission spectra, excitation spectra and fluorescence decay curves were measured and discussed. By using emission spectra obtained under selective dye laser excitation at 12 K, together with the crystal-field theory, the site symmetry of Dy3+ ions in ThO2 was determined as C3 nu and its energy level structure was tabulated. The lifetime of radiative level 4F9/2 was also determined as 0.40 ms.

  6. Energy-level statistics in the fine conformational resolution of RNA folding dynamics

    NASA Astrophysics Data System (ADS)

    Fernández, Ariel; Burastero, Teresita; Salthú, Rodolfo; Tablar, Ana

    1999-11-01

    This work is aimed at determining the energy-level statistics of the fine resolution of soft-mode dynamics warranting an adiabatically simplified structural relaxation of a folding biopolymer chain. The parameters defining the intrabasin structure relaxation are specified for RNA, so that each Watson-Crick base-pairing pattern may be treated as a quasiequilibrium ensemble of substates or torsional isomers within relevant folding time scales. The temperature-dependent threshold for energy dispersion associated with the fine structure of each superbasin is determined so as to warrant the adiabatic entrainment of the torsional dynamics.

  7. Effects of Dietary Energy Levels on the Physiological Parameters and Reproductive Performance of Gestating Gilts

    PubMed Central

    Jin, S. S.; Jung, S. W.; Jang, J. C.; Chung, W. L.; Jeong, J. H.; Kim, Y. Y.

    2016-01-01

    This experiment was conducted to investigate the effects of dietary energy levels on the physiological parameters and reproductive performance of gestating first parity sows. A total of 52 F1 gilts (Yorkshire×Landrace) were allocated to 4 dietary treatments using a completely randomized design. Each treatment contained diets with 3,100, 3,200, 3,300, or 3,400 kcal of metabolizable energy (ME)/kg, and the daily energy intake of the gestating gilts in each treatment were 6,200, 6,400, 6,600, and 6,800 kcal of ME, respectively. During gestation, the body weight (p = 0.04) and weight gain (p = 0.01) of gilts linearly increased with increasing dietary energy levels. Backfat thickness was not affected at d110 of gestation by dietary treatments, but increased linearly (p = 0.05) from breeding to d 110 of gestation. There were no significant differences on the litter size or litter birth weight. During lactation, the voluntary feed intake of sows tended to decrease when the dietary energy levels increased (p = 0.08). No difference was observed in backfat thickness of the sows within treatments; increasing energy levels linearly decreased the body weight of sows (p<0.05) at d 21 of lactation and body weight gain during lactation (p<0.01). No significant differences were observed in the chemical compositions of colostrum and milk. Therefore, these results indicated that high-energy diets influenced the bodyweight and backfat thickness of sows during gestation and lactation. NRC (2012) suggested that the energy requirement of the gestation gilt should be between 6,678 and 7,932 kcal of ME/d. Similarly, our results suggested that 3,100 kcal of ME/kg is not enough to maintain the reproductive performance for gilts during gestation with 2 kg feed daily. Gilts in the treatment 3,400 kcal of ME/kg have a higher weaning number of piglets, but bodyweight and backfat loss were higher than other treatments during lactation. But bodyweight and backfat loss were higher than other

  8. Energy levels and lifetimes of Nd IV, Pm IV, Sm IV, and Eu IV

    SciTech Connect

    Dzuba, V. A.; Safronova, U. I.; Johnson, W. R.

    2003-09-01

    To address the shortage of experimental data for electron spectra of triply ionized rare-earth elements we have calculated energy levels and lifetimes of 4f{sup n+1} and 4f{sup n}5d configurations of Nd IV (n=2), Pm IV (n=3), Sm IV (n=4), and Eu IV (n=5) using Hartree-Fock and configuration-interaction methods. To control the accuracy of our calculations we also performed similar calculations for Pr III, Nd III, and Sm III, for which experimental data are available. The results are important, in particular, for physics of magnetic garnets.

  9. Diagrammatic treatment of coherent backscattering of intense light by cold atoms with degenerate energy levels

    NASA Astrophysics Data System (ADS)

    Shatokhin, V. N.; Blattmann, R.; Wellens, T.; Buchleitner, A.

    2014-08-01

    We present a generalization of the diagrammatic pump-probe approach to coherent backscattering (CBS) of intense laser light for atoms with degenerate energy levels. We employ this approach for a characterization of the double-scattering signal from optically pumped atoms with the transition Jg→Je=Jg+1 in the helicity-preserving polarization channel. We show that, in the saturation regime, the internal degeneracy becomes manifest for atoms with Jg≥1, leading to a faster decrease of the CBS enhancement factor with increasing saturation parameter than in the nondegenerate case.

  10. Asymptotic black holes

    NASA Astrophysics Data System (ADS)

    Ho, Pei-Ming

    2017-04-01

    Following earlier works on the KMY model of black-hole formation and evaporation, we construct the metric for a matter sphere in gravitational collapse, with the back-reaction of pre-Hawking radiation taken into consideration. The mass distribution and collapsing velocity of the matter sphere are allowed to have an arbitrary radial dependence. We find that a generic gravitational collapse asymptote to a universal configuration which resembles a black hole but without horizon. This approach clarifies several misunderstandings about black-hole formation and evaporation, and provides a new model for black-hole-like objects in the universe.

  11. Evidence for black holes.

    PubMed

    Begelman, Mitchell C

    2003-06-20

    Black holes are common objects in the universe. Each galaxy contains large numbers-perhaps millions-of stellar-mass black holes, each the remnant of a massive star. In addition, nearly every galaxy contains a supermassive black hole at its center, with a mass ranging from millions to billions of solar masses. This review discusses the demographics of black holes, the ways in which they interact with their environment, factors that may regulate their formation and growth, and progress toward determining whether these objects really warp spacetime as predicted by the general theory of relativity.

  12. Sequence of hole resonances in complex oxide heterostructures.

    PubMed

    Smadici, S; Logvenov, G; Bozovic, I; Abbamonte, P

    2014-04-16

    Resonant soft x-ray scattering measurements at the O K edge on Sr2CuO4-ν/La2NiO4+δ (SCO/LNO) complex oxide superlattices show resonances for holes in the two constituent layers, in a sequence of energy levels. The observation of well defined resonances, on a superlattice with layers one unit cell thick, indicates that the resonance energy is largely unaffected by atoms outside a cluster extending half a unit cell along the c axis, consistent with calculations for bulk materials. Comparison to measurements on related superlattices confirms that the order of resonances at the O K edge reflects the order of hole ground-state energies in the heterostructure buried layers. For the SCO/LNO superlattices, the measurements show that the ground-state energies remain different in very thin SCO and LNO layers, which is a contributing factor when considering electronic reconstruction at interfaces, in addition to the areal density of ionic charges in the atomic planes. Different hole energy levels in the SCO/LNO superlattice also imply that holes do not spread into SCO from LNO layers.

  13. Correlation, Breit and Quantum Electrodynamics effects on energy level and transition properties of W54+ ion

    NASA Astrophysics Data System (ADS)

    Ding, Xiaobin; Sun, Rui; Koike, Fumihiro; Kato, Daiji; Murakami, Izumi; Sakaue, Hiroyuki A.; Dong, Chenzhong

    2017-03-01

    The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The ground states [Ne]3s23p63d2 and first excited states [Ne]3s23p53d3 of W54+ ion have been studied by using Multi-Configuration Dirac-Fock method with the implementation of Grasp2K package. A restricted active space method was employed to investigate the correlation contribution from different models. The Breit interaction and QED effects were taken into account in the relativistic configuration interaction calculation with the converged wavefunction. It is found that the correlation contribution from 3s and 3p orbital have important contribution to the energy level, transition wavelength and probability of the ground and the first excited state of W54+ ion. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

  14. Efficient light emission from inorganic and organic semiconductor hybrid structures by energy-level tuning

    PubMed Central

    Schlesinger, R.; Bianchi, F.; Blumstengel, S.; Christodoulou, C.; Ovsyannikov, R.; Kobin, B.; Moudgil, K.; Barlow, S.; Hecht, S.; Marder, S.R.; Henneberger, F.; Koch, N.

    2015-01-01

    The fundamental limits of inorganic semiconductors for light emitting applications, such as holographic displays, biomedical imaging and ultrafast data processing and communication, might be overcome by hybridization with their organic counterparts, which feature enhanced frequency response and colour range. Innovative hybrid inorganic/organic structures exploit efficient electrical injection and high excitation density of inorganic semiconductors and subsequent energy transfer to the organic semiconductor, provided that the radiative emission yield is high. An inherent obstacle to that end is the unfavourable energy level offset at hybrid inorganic/organic structures, which rather facilitates charge transfer that quenches light emission. Here, we introduce a technologically relevant method to optimize the hybrid structure's energy levels, here comprising ZnO and a tailored ladder-type oligophenylene. The ZnO work function is substantially lowered with an organometallic donor monolayer, aligning the frontier levels of the inorganic and organic semiconductors. This increases the hybrid structure's radiative emission yield sevenfold, validating the relevance of our approach. PMID:25872919

  15. Origin of the energy level alignment at organic/organic interfaces: The role of structural defects

    NASA Astrophysics Data System (ADS)

    Bussolotti, Fabio; Yang, Jinpeng; Hinderhofer, Alexander; Huang, Yuli; Chen, Wei; Kera, Satoshi; Wee, Andrew T. S.; Ueno, Nobuo

    2014-03-01

    In this paper, the electronic properties of as-deposited and N2-exposedCuPc/F16CuPc interface, a prototype system for organic photovoltaic applications, are investigated by using ultralow background, high-sensitivity photoemission spectroscopy. It is found that (i) N2 exposure significantly modifies the energy level alignment (ELA) at the interface between CuPc and F16CuPc layer and (ii) the direction of the N2-induced energy level shift of the CuPc depends on the position of the Fermi level (EF) in the CuPc highest occupied molecular orbital-lowest unoccupied molecular orbital gap of the as-deposited film. These observations are related to the changes in the density of gap states (DOGS) produced by structural imperfections in the molecular packing geometry, as introduced by the N2 penetration into the CuPc layer. This result demonstrates the key role of structure-induced DOGS in controlling the ELA at organic/organic interfaces.

  16. Spectra, energy levels, and energy transition of lanthanide complexes with cinnamic acid and its derivatives.

    PubMed

    Zhou, Kaining; Feng, Zhongshan; Shen, Jun; Wu, Bing; Luo, Xiaobing; Jiang, Sha; Li, Li; Zhou, Xianju

    2016-04-05

    High resolution spectra and luminescent lifetimes of 6 europium(III)-cinnamic acid complex {[Eu2L6(DMF)(H2O)]·nDMF·H2O}m (L=cinnamic acid I, 4-methyl-cinnamic acid II, 4-chloro-cinnamic acid III, 4-methoxy-cinnamic acid IV, 4-hydroxy-cinnamic acid V, 4-nitro-cinnamic acid VI; DMF=N, N-dimethylformamide, C3H7NO) were recorded from 8 K to room temperature. The energy levels of Eu(3+) in these 6 complexes are obtained from the spectra analysis. It is found that the energy levels of the central Eu(3+) ions are influenced by the nephelauxetic effect, while the triplet state of ligand is lowered by the p-π conjugation effect of the para-substituted functional groups. The best energy matching between the ligand triplet state and the central ion excited state is found in complex I. While the other complexes show poorer matching because the gap of (5)D0 and triplet state contracts.

  17. The molecular potential energy surface and vibrational energy levels of methyl fluoride. Part II.

    PubMed

    Manson, Steven A; Law, Mark M; Atkinson, Ian A; Thomson, Grant A

    2006-06-28

    New analytical bending and stretching, ground electronic state, potential energy surfaces for CH(3)F are reported. The surfaces are expressed in bond-length, bond-angle internal coordinates. The four-dimensional stretching surface is an accurate, least squares fit to over 2000 symmetrically unique ab initio points calculated at the CCSD(T) level. Similarly, the five-dimensional bending surface is a fit to over 1200 symmetrically unique ab initio points. This is an important first stage towards a full nine-dimensional potential energy surface for the prototype CH(3)F molecule. Using these surfaces, highly excited stretching and (separately) bending vibrational energy levels of CH(3)F are calculated variationally using a finite basis representation method. The method uses the exact vibrational kinetic energy operator derived for XY(3)Z systems by Manson and Law (preceding paper, Part I, Phys. Chem. Chem. Phys., 2006, 8, DOI: 10.1039/b603106d). We use the full C(3v) symmetry and the computer codes are designed to use an arbitrary potential energy function. Ultimately, these results will be used to design a compact basis for fully coupled stretch-bend calculations of the vibrational energy levels of the CH(3)F system.

  18. Energy Levels and Co-evolution of Product Innovation in Supply Chain Clusters

    NASA Astrophysics Data System (ADS)

    Ji, Guojun

    In the last decade supply chain clusters phenomenon has emerged as a new approach in product innovation studies. This article makes three contributions to the approach by addressing some open issues. The first contribution is to explicitly incorporate the energy levels in the analysis. Hence, the unit of analysis is widened from sectoral systems of innovation to socio-technical systems. Hence, the unit of analysis is widened from sectoral systems of innovation to socio-technical systems. The second contribution is to suggest an analytical distinction between different evolution method, actors involved in them, and the institutions which guide actor's perceptions and activities. Thirdly, the article opens up the black box of institutions, making them an integral part of supply chain. The article provides a coherent conceptual multi-level perspective, using insights from sociology, institutional theory and innovation studies. The perspective is particularly useful to analyze long-term dynamics supply chain clusters phenomenon, shifts from one energy level to another and the co-evolution of product innovation.

  19. Efficient light emission from inorganic and organic semiconductor hybrid structures by energy-level tuning.

    PubMed

    Schlesinger, R; Bianchi, F; Blumstengel, S; Christodoulou, C; Ovsyannikov, R; Kobin, B; Moudgil, K; Barlow, S; Hecht, S; Marder, S R; Henneberger, F; Koch, N

    2015-04-15

    The fundamental limits of inorganic semiconductors for light emitting applications, such as holographic displays, biomedical imaging and ultrafast data processing and communication, might be overcome by hybridization with their organic counterparts, which feature enhanced frequency response and colour range. Innovative hybrid inorganic/organic structures exploit efficient electrical injection and high excitation density of inorganic semiconductors and subsequent energy transfer to the organic semiconductor, provided that the radiative emission yield is high. An inherent obstacle to that end is the unfavourable energy level offset at hybrid inorganic/organic structures, which rather facilitates charge transfer that quenches light emission. Here, we introduce a technologically relevant method to optimize the hybrid structure's energy levels, here comprising ZnO and a tailored ladder-type oligophenylene. The ZnO work function is substantially lowered with an organometallic donor monolayer, aligning the frontier levels of the inorganic and organic semiconductors. This increases the hybrid structure's radiative emission yield sevenfold, validating the relevance of our approach.

  20. Size-dependent energy levels of InSb quantum dots measured by scanning tunneling spectroscopy.

    PubMed

    Wang, Tuo; Vaxenburg, Roman; Liu, Wenyong; Rupich, Sara M; Lifshitz, Efrat; Efros, Alexander L; Talapin, Dmitri V; Sibener, S J

    2015-01-27

    The electronic structure of single InSb quantum dots (QDs) with diameters between 3 and 7 nm was investigated using atomic force microscopy (AFM) and scanning tunneling spectroscopy (STS). In this size regime, InSb QDs show strong quantum confinement effects which lead to discrete energy levels on both valence and conduction band states. Decrease of the QD size increases the measured band gap and the spacing between energy levels. Multiplets of equally spaced resonance peaks are observed in the tunneling spectra. There, multiplets originate from degeneracy lifting induced by QD charging. The tunneling spectra of InSb QDs are qualitatively different from those observed in the STS of other III-V materials, for example, InAs QDs, with similar band gap energy. Theoretical calculations suggest the electron tunneling occurs through the states connected with L-valley of InSb QDs rather than through states of the Γ-valley. This observation calls for better understanding of the role of indirect valleys in strongly quantum-confined III-V nanomaterials.

  1. Spectrum and energy levels of five-times ionized zirconium (Zr VI)

    NASA Astrophysics Data System (ADS)

    Reader, Joseph; Lindsay, Mark D.

    2016-02-01

    We carried out a new analysis of the spectrum of five-times-ionized zirconium Zr VI. For this we used sliding-spark discharges together with normal- and grazing-incidence spectrographs to observe the spectrum from 160 to 2000 Å. These observations showed that the analysis of this spectrum by Khan et al (1985 Phys. Scr. 31 837) contained a significant number of incorrect energy levels. We have now classified ˜420 lines as transitions between 23 even-parity levels 73 odd-parity levels. The 4s24p5, 4s4p6, 4s24p44d, 5s, 5d, 6s configurations are now complete, although a few levels of 4s24p45d are tentative. We determined Ritz-type wavelengths for ˜135 lines from the optimized energy levels. The uncertainties range from 0.0003 to 0.0020 Å. Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels were used to interpret the observed configurations. Oscillator strengths for all classified lines were calculated with the fitted parameters. The results are compared with values for the level energies, percentage compositions, and transition probabilities from recent ab initio theoretical calculations. The ionization energy was revised to 777 380 ± 300 cm-1 (96.38 ± 0.04 eV).

  2. The Spectrum of Thorium from 250 nm to 5500 nm: Ritz Wavelengths and Optimized Energy Levels

    NASA Astrophysics Data System (ADS)

    Redman, Stephen L.; Nave, Gillian; Sansonetti, Craig J.

    2014-03-01

    We have made precise observations of a thorium-argon hollow cathode lamp emission spectrum in the region between 350 nm and 1175 nm using a high-resolution Fourier transform spectrometer. Our measurements are combined with results from seven previously published thorium line lists to re-optimize the energy levels of neutral, singly, and doubly ionized thorium (Th I, Th II, and Th III). Using the optimized level values, we calculate accurate Ritz wavelengths for 19, 874 thorium lines between 250 nm and 5500 nm (40, 000 cm-1 to 1800 cm-1). We have also found 102 new thorium energy levels. A systematic analysis of previous measurements in light of our new results allows us to identify and propose corrections for systematic errors in Palmer & Engleman and typographical errors and incorrect classifications in Kerber et al. We also found a large scatter with respect to the thorium line list of Lovis & Pepe. We anticipate that our Ritz wavelengths will lead to improved measurement accuracy for current and future spectrographs that make use of thorium-argon or thorium-neon lamps as calibration standards.

  3. OsF6 energy levels and vibronic coupling in the (dt2g)2 configuration

    NASA Astrophysics Data System (ADS)

    Michalopoulos, D. L.; Bernstein, E. R.

    1982-02-01

    Electronic and vibronic energy levels of the (d sub 2 sub tg)-squared configuration of OsF6 are studied using electronic Raman scattering and absorption spectroscopy. The ground state has been identified as E sub g (crystal field split by approx. 28/cm) and the first excited state is T sub lg with crystal field energy levels at 14, 28 and 40/cm. The three other regions of the spectrum that were observed are at 4,000/cm, 8,000/cm, and 17,000/cm covering the remaining (d sub 2tg)-squared configuration levels. The 4,000/cm band consists of A sub lg and T sub lg electron states which do not interact strongly through vibronic coupling. The T sub lg electronic state evidences a strong approx. (D 2.2) linear Jahn Teller effect for Nu sub 5 and an observable Jahn Teller effect for Nu sub 2. The band at 8,000/cm consists of E sub g and T sub 2g electronic states; it is so complex and strongly coupled that little information can be extracted from the absorption data concerning the Jahn-Teller interaction in this 5-fold degenerate manifold. The feature at 17,000/cm is an A sub lg electronic state and its elucidation follows normal behavior found in other hexafluoride spectra.

  4. Vibrational energy levels of difluorodioxirane computed with variational and perturbative methods from a hybrid force field.

    PubMed

    Ramakrishnan, Raghunathan; Carrington, Tucker

    2014-02-05

    We have computed vibrational energy levels of difluorodioxirane (CF2O2). For the potential, a Taylor expansion in normal coordinates is used. The CCSD(T) and MP2 methods and correlation consistent basis sets of quadruple-zeta quality are used to determine the force constants. The vibrational Schrödinger equation was solved using both a variational method and second order perturbation theory. The Watson kinetic energy operator and a discrete variable representation were used with the DEWE (E. Mátyus, G. Czakó, B.T. Sutcliffe and A.G. Császár, J. Chem. Phys. 127 (2007) 084102) computer program to do the variational calculations. For the variational calculations, the average absolute deviation of fundamentals, with respect to experimental values, is less than 3 cm(-1). Perturbative results are almost as good. About 300 vibrational levels were computed. (16)O→(18)O isotopic shifts have also been calculated variationally for the lowest 75 vibrational energy levels and are compared to experimental results. Copyright © 2012 Elsevier B.V. All rights reserved.

  5. A spectral-Lagrangian Boltzmann solver for a multi-energy level gas

    SciTech Connect

    Munafò, Alessandro; Haack, Jeffrey R.; Gamba, Irene M.; Magin, Thierry E.

    2014-05-01

    In this paper a spectral-Lagrangian method is proposed for the full, non-linear Boltzmann equation for a multi-energy level gas typical of a hypersonic re-entry flow. Internal energy levels are treated as separate species and inelastic collisions (leading to internal energy excitation and relaxation) are accounted for. The formulation developed can also be used for the case of a gas mixture made of monatomic gases without internal energy (where only elastic collisions occur). The advantage of the spectral-Lagrangian method lies in the generality of the algorithm in use for the evaluation of the elastic and inelastic collision operators, as well as the conservation of mass, momentum and energy during collisions. The latter is realized through the solution of constrained optimization problems. The computational procedure is based on the Fourier transform of the partial elastic and inelastic collision operators and exploits the fact that these can be written as weighted convolutions in Fourier space with no restriction on the cross-section model. The feasibility of the proposed approach is demonstrated through numerical examples for both space homogeneous and in-homogeneous problems. Computational results are compared with those obtained by means of the DSMC method in order to assess the accuracy of the proposed spectral-Lagrangian method.

  6. THE SPECTRUM OF THORIUM FROM 250 nm TO 5500 nm: RITZ WAVELENGTHS AND OPTIMIZED ENERGY LEVELS

    SciTech Connect

    Redman, Stephen L.; Nave, Gillian; Sansonetti, Craig J.

    2014-03-01

    We have made precise observations of a thorium-argon hollow cathode lamp emission spectrum in the region between 350 nm and 1175 nm using a high-resolution Fourier transform spectrometer. Our measurements are combined with results from seven previously published thorium line lists to re-optimize the energy levels of neutral, singly, and doubly ionized thorium (Th I, Th II, and Th III). Using the optimized level values, we calculate accurate Ritz wavelengths for 19, 874 thorium lines between 250 nm and 5500 nm (40, 000 cm{sup –1} to 1800 cm{sup –1}). We have also found 102 new thorium energy levels. A systematic analysis of previous measurements in light of our new results allows us to identify and propose corrections for systematic errors in Palmer and Engleman and typographical errors and incorrect classifications in Kerber et al. We also found a large scatter with respect to the thorium line list of Lovis and Pepe. We anticipate that our Ritz wavelengths will lead to improved measurement accuracy for current and future spectrographs that make use of thorium-argon or thorium-neon lamps as calibration standards.

  7. Energy levels, radiative rates and electron impact excitation rates for transitions in C III

    NASA Astrophysics Data System (ADS)

    Aggarwal, Kanti M.; Keenan, Francis P.

    2015-06-01

    We report energy levels, radiative rates (A-values) and lifetimes for the astrophysically important Be-like ion C III. For the calculations, 166 levels belonging to the n ≤ 5 configurations are considered and the GRASP (General-purpose Relativistic Atomic Structure Package) is adopted. Einstein A-coefficients are provided for all E1, E2, M1 and M2 transitions, while lifetimes are compared with available measurements as well as theoretical results, and no large discrepancies noted. Our energy levels are assessed to be accurate to better than 1 per cent for a majority of levels, and A-values to better than 20 per cent for most transitions. Collision strengths are also calculated, for which the Dirac Atomic R-matrix Code (DARC) is used. A wide energy range, up to 21 Ryd, is considered and resonances resolved in a fine energy mesh in the thresholds region. The collision strengths are subsequently averaged over a Maxwellian velocity distribution to determine effective collision strengths up to a temperature of 8.0 × 105 K, sufficient for most astrophysical applications. Our data are compared with the recent R-matrix calculations of Fernández-Menchero et al., and significant differences (up to over an order of magnitude) are noted for several transitions over the complete temperature range of the results.

  8. Energy levels, radiative rates, and lifetimes for transitions in W LVIII

    SciTech Connect

    Aggarwal, Kanti M. Keenan, Francis P.

    2014-11-15

    Energy levels and radiative rates are reported for transitions in Cl-like W LVIII. Configuration interaction (CI) has been included among 44 configurations (generating 4978 levels) over a wide energy range up to 363 Ryd, and the general-purpose relativistic atomic structure package (GRASP) adopted for the calculations. Since no other results of comparable complexity are available, calculations have also been performed with the flexible atomic code (FAC), which help in assessing the accuracy of our results. Energies are listed for the lowest 400 levels (with energies up to ∼98 Ryd), which mainly belong to the 3s{sup 2}3p{sup 5}, 3s3p{sup 6}, 3s{sup 2}3p{sup 4}3d, 3s{sup 2}3p{sup 3}3d{sup 2}, 3s3p{sup 4}3d{sup 2}, 3s{sup 2}3p{sup 2}3d{sup 3}, and 3p{sup 6}3d configurations, and radiative rates are provided for four types of transitions, i.e. E1, E2, M1, and M2. Our energy levels are assessed to be accurate to better than 0.5%, whereas radiative rates (and lifetimes) should be accurate to better than 20% for a majority of the strong transitions.

  9. Spectra, energy levels, and energy transition of lanthanide complexes with cinnamic acid and its derivatives

    NASA Astrophysics Data System (ADS)

    Zhou, Kaining; Feng, Zhongshan; Shen, Jun; Wu, Bing; Luo, Xiaobing; Jiang, Sha; Li, Li; Zhou, Xianju

    2016-04-01

    High resolution spectra and luminescent lifetimes of 6 europium(III)-cinnamic acid complex {[Eu2L6(DMF)(H2O)]·nDMF·H2O}m (L = cinnamic acid I, 4-methyl-cinnamic acid II, 4-chloro-cinnamic acid III, 4-methoxy-cinnamic acid IV, 4-hydroxy-cinnamic acid V, 4-nitro-cinnamic acid VI; DMF = N, N-dimethylformamide, C3H7NO) were recorded from 8 K to room temperature. The energy levels of Eu3 + in these 6 complexes are obtained from the spectra analysis. It is found that the energy levels of the central Eu3 + ions are influenced by the nephelauxetic effect, while the triplet state of ligand is lowered by the p-π conjugation effect of the para-substituted functional groups. The best energy matching between the ligand triplet state and the central ion excited state is found in complex I. While the other complexes show poorer matching because the gap of 5D0 and triplet state contracts.

  10. C sub 60 bonding and energy-level alignment on metal and semiconductor surfaces

    SciTech Connect

    Ohno, T.R.; Chen, Y.; Harvey, S.E.; Kroll, G.H.; Weaver, J.H. ); Haufler, R.E.; Smalley, R.E. )

    1991-12-15

    Electronic-structure studies of C{sub 60} condensed on metal surfaces show that the energy levels derived from the fullerene align with the substrate Fermi level, not the vacuum level. For thick layers grown on metals at 300 K, the binding energy of the C 1{ital s} main line was 284.7 eV and the center of the band derived from the highest occupied molecular orbital was 2.25 eV below the Fermi level. For monolayer amounts of C{sub 60} adsorbed on Au and Cr, however, the C 1{ital s} line was broadened asymmetrically and shifted to lower binding energy, the shakeup features were less distinct, and a band derived from the lowest unoccupied molecular orbital (LUMO) was shifted toward the Fermi level. These monolayer effects demonstrate partial occupancy of a LUMO-derived state, dipole formation, and changes in screening that are associated with LUMO occupancy. Results for C{sub 60} monolayers on {ital n}-type GaAs(110) show transfer of {le}0.02 electron per fullerene, as gauged by substrate band bending. For C{sub 60} on {ital p}-type GaAs, however, the bands remained flat because electron redistribution was not possible, and the C{sub 60}-derived energy levels were aligned to the substrate vacuum level.

  11. A new classification of the amino acid side chains based on doublet acceptor energy levels.

    PubMed Central

    Sneddon, S F; Morgan, R S; Brooks, C L

    1988-01-01

    We describe a new classification of the amino acid side chains based on the potential energy level at which each will accept an extra (doublet) electron. The doublet acceptor energy level, and the doublet acceptor orbital were calculated using semiempirical INDO/2-UHF molecular orbital theory. The results of these calculations show that the side chains fall into four groups. We have termed these groups repulsive, insulating, semiconducting, and attractive in accordance with where each lies on the relative energy scale. We use this classification to examine the role of residues between the donor and acceptor in modulating the rate and mechanism of electron transfer in proteins. With the calculated acceptor levels, we construct a potential barrier for those residues between the donor and acceptor. It is the area beneath this barrier that determines the decay of electronic coupling between donor and acceptor, and thus the transfer rate. We have used this schematic approach to characterize the four electron transfer pathways in myoglobin recently studied by Mayo et al. (Mayo, S.L., W.R. Ellis, R.J. Crutchley, and H.B. Gray. 1986. Science [Wash. DC]. 233:948-952). PMID:3342271

  12. Energy level alignment at hybridized organic-metal interfaces from a GW projection approach

    NASA Astrophysics Data System (ADS)

    Chen, Yifeng; Tamblyn, Isaac; Quek, Su Ying

    Energy level alignments at organic-metal interfaces are of profound importance in numerous (opto)electronic applications. Standard density functional theory (DFT) calculations generally give incorrect energy level alignments and missing long-range polarization effects. Previous efforts to address this problem using the many-electron GW method have focused on physisorbed systems where hybridization effects are insignificant. Here, we use state-of-the-art GW methods to predict the level alignment at the amine-Au interface, where molecular levels do hybridize with metallic states. This non-trivial hybridization implies that DFT result is a poor approximation to the quasiparticle states. However, we find that the self-energy operator is approximately diagonal in the molecular basis, allowing us to use a projection approach to predict the level alignments. Our results indicate that the metallic substrate reduces the HOMO-LUMO gap by 3.5 4.0 eV, depending on the molecular coverage/presence of Au adatoms. Our GW results are further compared with those of a simple image charge model that describes the level alignment in physisorbed systems. Syq and YC acknowledge Grant NRF-NRFF2013-07 and the medium-sized centre program from the National Research Foundation, Singapore.

  13. Spectrum of electron-hole states of the Si/Ge structure with Ge quantum dots

    SciTech Connect

    Talochkin, A. B. Chistokhin, I. B.

    2011-09-15

    The lateral photoconductivity spectra of Si/Ge multilayer structures with Ge quantum dots of various sizes are investigated. We observed optical transition lines between the hole levels of quantum dots and electronic states of Si. This enabled us to construct a detailed energy level diagram of the electron-hole spectrum of the Si/Ge structures. It is shown that the hole levels of Ge quantum dots are successfully described by the 'quantum box' model using the actual sizes of Ge islands. It I found that the position of the longwavelength photosensitivity boundary of Si/Ge structures with Ge quantum dots can be controlled by changing the growth parameters.

  14. Newborn Black Holes

    ERIC Educational Resources Information Center

    Science Teacher, 2005

    2005-01-01

    Scientists using NASA's Swift satellite say they have found newborn black holes, just seconds old, in a confused state of existence. The holes are consuming material falling into them while somehow propelling other material away at great speeds. "First comes a blast of gamma rays followed by intense pulses of x-rays. The energies involved are much…

  15. Rotating hairy black holes.

    PubMed

    Kleihaus, B; Kunz, J

    2001-04-23

    We construct stationary black-hole solutions in SU(2) Einstein-Yang-Mills theory which carry angular momentum and electric charge. Possessing nontrivial non-Abelian magnetic fields outside their regular event horizon, they represent nonperturbative rotating hairy black holes.

  16. Newborn Black Holes

    ERIC Educational Resources Information Center

    Science Teacher, 2005

    2005-01-01

    Scientists using NASA's Swift satellite say they have found newborn black holes, just seconds old, in a confused state of existence. The holes are consuming material falling into them while somehow propelling other material away at great speeds. "First comes a blast of gamma rays followed by intense pulses of x-rays. The energies involved are much…

  17. Time (hole?) machines

    NASA Astrophysics Data System (ADS)

    Manchak, John Byron

    2014-11-01

    Within the context of general relativity, we consider a type of "time machine" and introduce the related "hole machine". We review what is known about each and add results of our own. We conclude that (so far) the hole machine advocate is in a better position than the time machine advocate.

  18. Comparison of Open-Hole Compression Strength and Compression After Impact Strength on Carbon Fiber/Epoxy Laminates for the Ares I Composite Interstage

    NASA Technical Reports Server (NTRS)

    Hodge, Andrew J.; Nettles, Alan T.; Jackson, Justin R.

    2011-01-01

    Notched (open hole) composite laminates were tested in compression. The effect on strength of various sizes of through holes was examined. Results were compared to the average stress criterion model. Additionally, laminated sandwich structures were damaged from low-velocity impact with various impact energy levels and different impactor geometries. The compression strength relative to damage size was compared to the notched compression result strength. Open-hole compression strength was found to provide a reasonable bound on compression after impact.

  19. Soft Hair on Black Holes

    NASA Astrophysics Data System (ADS)

    Hawking, Stephen W.; Perry, Malcolm J.; Strominger, Andrew

    2016-06-01

    It has recently been shown that Bondi-van der Burg-Metzner-Sachs supertranslation symmetries imply an infinite number of conservation laws for all gravitational theories in asymptotically Minkowskian spacetimes. These laws require black holes to carry a large amount of soft (i.e., zero-energy) supertranslation hair. The presence of a Maxwell field similarly implies soft electric hair. This Letter gives an explicit description of soft hair in terms of soft gravitons or photons on the black hole horizon, and shows that complete information about their quantum state is stored on a holographic plate at the future boundary of the horizon. Charge conservation is used to give an infinite number of exact relations between the evaporation products of black holes which have different soft hair but are otherwise identical. It is further argued that soft hair which is spatially localized to much less than a Planck length cannot be excited in a physically realizable process, giving an effective number of soft degrees of freedom proportional to the horizon area in Planck units.

  20. Soft Hair on Black Holes.

    PubMed

    Hawking, Stephen W; Perry, Malcolm J; Strominger, Andrew

    2016-06-10

    It has recently been shown that Bondi-van der Burg-Metzner-Sachs supertranslation symmetries imply an infinite number of conservation laws for all gravitational theories in asymptotically Minkowskian spacetimes. These laws require black holes to carry a large amount of soft (i.e., zero-energy) supertranslation hair. The presence of a Maxwell field similarly implies soft electric hair. This Letter gives an explicit description of soft hair in terms of soft gravitons or photons on the black hole horizon, and shows that complete information about their quantum state is stored on a holographic plate at the future boundary of the horizon. Charge conservation is used to give an infinite number of exact relations between the evaporation products of black holes which have different soft hair but are otherwise identical. It is further argued that soft hair which is spatially localized to much less than a Planck length cannot be excited in a physically realizable process, giving an effective number of soft degrees of freedom proportional to the horizon area in Planck units.

  1. Accretion disks around black holes

    NASA Technical Reports Server (NTRS)

    Abramowicz, M. A.

    1994-01-01

    The physics of accretion flow very close to a black hole is dominated by several general relativistic effects. It cannot be described by the standard Shakura Sunyaev model or by its relativistic version developed by Novikov and Thome. The most important of these effects is a dynamical mass loss from the inner edge of the disk (Roche lobe overflow). The relativistic Roche lobe overflow induces a strong advective cooling, which is sufficient to stabilize local, axially symmetric thermal and viscous modes. It also stabilizes the non-axially-symmetric global modes discovered by Papaloizou and Pringle. The Roche lobe overflow, however, destabilizes sufficiently self-gravitating accretion disks with respect to a catastrophic runaway of mass due to minute changes of the gravitational field induced by the changes in the mass and angular momentum of the central black hole. One of the two acoustic modes may become trapped near the inner edge of the disk. All these effects, absent in the standard model, have dramatic implications for time-dependent behavior of the accretion disks around black holes.

  2. Observing Black Hole Spin

    NASA Astrophysics Data System (ADS)

    Reynolds, Christopher S.

    2015-08-01

    Black hole spin is important in both the fundamental physics and astrophysics realms. In fundamental terms, many extensions and alternatives to General Relativity (GR) reveal themselves through effects related to (or at least of the same order as) spin. Astrophysically, spin is a fossil record of how black holes have grown and may, in addition, be an important source of energy (e.g., powering relativistic jets from black hole systems). I shall review recent progress on observational studies of black hole spin, especially those made in the X-ray waveband. We now have multiple techniques that can be applied in our search for black hole spin; I shall discuss the concordance (or, sometimes, lack thereof) between these techniques. Finally, I shall discuss what we can expect in the next few years with the launch of new X-ray instrumentation as well as the deployment of the Event Horizon Telescope.

  3. Fluctuating black hole horizons

    NASA Astrophysics Data System (ADS)

    Mei, Jianwei

    2013-10-01

    In this paper we treat the black hole horizon as a physical boundary to the spacetime and study its dynamics following from the Gibbons-Hawking-York boundary term. Using the Kerr black hole as an example we derive an effective action that describes, in the large wave number limit, a massless Klein-Gordon field living on the average location of the boundary. Complete solutions can be found in the small rotation limit of the black hole. The formulation suggests that the boundary can be treated in the same way as any other matter contributions. In particular, the angular momentum of the boundary matches exactly with that of the black hole, suggesting an interesting possibility that all charges (including the entropy) of the black hole are carried by the boundary. Using this as input, we derive predictions on the Planck scale properties of the boundary.

  4. Black Hole Simulation

    NASA Technical Reports Server (NTRS)

    1999-01-01

    This graphic shows the computer simulation of a black hole from start to finish. Plasma is falling slowly toward the black hole in a (at the upper left). The plasma has a magnetic field, shown by the white lines. It picks up speed as it falls toward the hole in b (at the upper right), c (lower left) and d (lower right). However, the rotating black hole twists up space itself (and the magnetic field lines) and ejects electromagnetic power along the north and south poles above the black hole. The red and white color shows the immense electromagnetic power output, which eventually will pick up particles and form squirting jets. This simulation was conducted using supercomputers at Japan's National Institute for Fusion Science.

  5. Can we track holes?

    PubMed Central

    Horowitz, Todd S.; Kuzmova, Yoana

    2011-01-01

    The evidence is mixed as to whether the visual system treats objects and holes differently. We used a multiple object tracking task to test the hypothesis that figural objects are easier to track than holes. Observers tracked four of eight items (holes or objects). We used an adaptive algorithm to estimate the speed allowing 75% tracking accuracy. In Experiments 1–5, the distinction between holes and figures was accomplished by pictorial cues, while red-cyan anaglyphs were used to provide the illusion of depth in Experiment 6. We variously used Gaussian pixel noise, photographic scenes, or synthetic textures as backgrounds. Tracking was more difficult when a complex background was visible, as opposed to a blank background. Tracking was easier when disks carried fixed, unique markings. When these factors were controlled for, tracking holes was no more difficult than tracking figures, suggesting that they are equivalent stimuli for tracking purposes. PMID:21334361

  6. Can we track holes?

    PubMed

    Horowitz, Todd S; Kuzmova, Yoana

    2011-05-11

    The evidence is mixed as to whether the visual system treats objects and holes differently. We used a multiple object tracking task to test the hypothesis that figural objects are easier to track than holes. Observers tracked four of eight items (holes or objects). We used an adaptive algorithm to estimate the speed allowing 75% tracking accuracy. In Experiments 1-5, the distinction between holes and figures was accomplished by pictorial cues, while red-cyan anaglyphs were used to provide the illusion of depth in Experiment 6. We variously used Gaussian pixel noise, photographic scenes, or synthetic textures as backgrounds. Tracking was more difficult when a complex background was visible, as opposed to a blank background. Tracking was easier when disks carried fixed, unique markings. When these factors were controlled for, tracking holes was no more difficult than tracking figures, suggesting that they are equivalent stimuli for tracking purposes. Copyright © 2011 Elsevier Ltd. All rights reserved.

  7. Black Hole Simulation

    NASA Image and Video Library

    1999-11-30

    This graphic shows the computer simulation of a black hole from start to finish. Plasma is falling slowly toward the black hole in a (at the upper left). The plasma has a magnetic field, shown by the white lines. It picks up speed as it falls toward the hole in b (at the upper right), c (lower left) and d (lower right). However, the rotating black hole twists up space itself (and the magnetic field lines) and ejects electromagnetic power along the north and south poles above the black hole. The red and white color shows the immense electromagnetic power output, which eventually will pick up particles and form squirting jets. This simulation was conducted using supercomputers at Japan's National Institute for Fusion Science. http://photojournal.jpl.nasa.gov/catalog/PIA04206

  8. Organic molecules on metal and oxide semiconductor substrates: Adsorption behavior and electronic energy level alignment

    NASA Astrophysics Data System (ADS)

    Ruggieri, Charles M.

    Modern devices such as organic light emitting diodes use organic/oxide and organic/metal interfaces for crucial processes such as charge injection and charge transfer. Understanding fundamental physical processes occurring at these interfaces is essential to improving device performance. The ultimate goal of studying such interfaces is to form a predictive model of interfacial interactions, which has not yet been established. To this end, this thesis focuses on obtaining a better understanding of fundamental physical interactions governing molecular self-assembly and electronic energy level alignment at organic/metal and organic/oxide interfaces. This is accomplished by investigating both the molecular adsorption geometry using scanning tunneling microscopy, as well as the electronic structure at the interface using direct and inverse photoemission spectroscopy, and analyzing the results in the context of first principles electronic structure calculations. First, we study the adsorption geometry of zinc tetraphenylporphyrin (ZnTPP) molecules on three noble metal surfaces: Au(111), Ag(111), and Ag(100). These surfaces were chosen to systematically compare the molecular self-assembly and adsorption behavior on two metals of the same surface symmetry and two surface symmetries of one metal. From this investigation, we improve the understanding of self-assembly at organic/metal interfaces and the relative strengths of competing intermolecular and molecule-substrate interactions that influence molecular adsorption geometry. We then investigate the electronic structure of the ZnTPP/Au(111), Ag(111), and Ag(100) interfaces as examples of weakly-interacting systems. We compare these cases to ZnTPP on TiO2(110), a wide-bandgap oxide semiconductor, and explain the intermolecular and molecule-substrate interactions that determine the electronic energy level alignment at the interface. Finally we study tetracyanoquinodimethane (TCNQ), a strong electron acceptor, on TiO2

  9. Distribution of the energy levels of individual interface traps and a fundamental refinement in charge pumping theory

    NASA Astrophysics Data System (ADS)

    Tsuchiya, Toshiaki; Lenahan, Patrick M.

    2017-03-01

    We carried out a unique and systematic characterization of single amphoteric Si/SiO2 interface traps using the charge pumping (CP) method. As a result, we obtained the distribution of the energy levels of these traps for the first time. The distribution is reasonably similar to that of the P b0 density of states reported previously. By considering the essential nature of these traps (i.e., those with two energy levels), factors depending on the energy levels, and the Coulomb interactions between traps, we fundamentally corrected the conventional CP theory.

  10. Exact energy levels and eigenfunctions of an electron on a nanosphere under the influence of a radial magnetic field

    NASA Astrophysics Data System (ADS)

    Çetin, A.

    2017-10-01

    The exact energy levels and wave functions of an electron that is free to move on a nanosphere under the influence of a radial magnetic field have been determined. The wave functions are expressed in terms of Jacobi polynomials that are well defined and orthogonal and can be expressed using recurrence relations and series expansions. We also discuss the wave functions and energy levels in the presence of a very high magnetic field. Landau energy levels are shown for strong constant magnetic fields occurring on two-dimensional flat surfaces, if the radius is very large. The results are compared with those of previously published researches.

  11. Hole-ness of point clouds

    NASA Astrophysics Data System (ADS)

    Gronz, Oliver; Seeger, Manuel; Klaes, Björn; Casper, Markus C.; Ries, Johannes B.

    2015-04-01

    Accurate and dense 3D models of soil surfaces can be used in various ways: They can be used as initial shapes for erosion models. They can be used as benchmark shapes for erosion model outputs. They can be used to derive metrics, such as random roughness... One easy and low-cost method to produce these models is structure from motion (SfM). Using this method, two questions arise: Does the soil moisture, which changes the colour, albedo and reflectivity of the soil, influence the model quality? How can the model quality be evaluated? To answer these questions, a suitable data set has been produced: soil has been placed on a tray and areas with different roughness structures have been formed. For different moisture states - dry, medium, saturated - and two different lighting conditions - direct and indirect - sets of high-resolution images at the same camera positions have been taken. From the six image sets, 3D point clouds have been produced using VisualSfM. The visual inspection of the 3D models showed that all models have different areas, where holes of different sizes occur. But it is obviously a subjective task to determine the model's quality by visual inspection. One typical approach to evaluate model quality objectively is to estimate the point density on a regular, two-dimensional grid: the number of 3D points in each grid cell projected on a plane is calculated. This works well for surfaces that do not show vertical structures. Along vertical structures, many points will be projected on the same grid cell and thus the point density rather depends on the shape of the surface but less on the quality of the model. Another approach has been applied by using the points resulting from Poisson Surface Reconstructions. One of this algorithm's properties is the filling of holes: new points are interpolated inside the holes. Using the original 3D point cloud and the interpolated Poisson point set, two analyses have been performed: For all Poisson points, the

  12. Ab initio potential energy surface and vibration-rotation energy levels of beryllium monohydroxide.

    PubMed

    Koput, Jacek

    2017-01-05

    The accurate potential energy surface of beryllium monohydroxide, BeOH, in its ground electronic state X 2A' has been determined from ab initio calculations using the coupled-cluster approach in conjunction with the correlation-consistent core-valence basis sets up to septuple-zeta quality. The higher-order electron correlation, scalar relativistic, and adiabatic effects were taken into account. The BeOH molecule was confirmed to be bent at equilibrium, with the BeOH angle of 141.2° and the barrier to linearity of 129 cm(-1) . The vibration-rotation energy levels of the BeOH and BeOD isotopologues were predicted using a variational approach and compared with recent experimental data. The results can be useful in a further analysis of high-resolution vibration-rotation spectra of these interesting species. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  13. Ab initio potential energy surface and vibration-rotation energy levels of sulfur dioxide.

    PubMed

    Koput, Jacek

    2017-05-05

    An accurate potential energy surface of sulfur dioxide, SO2 , in its ground electronic state X∼ 1A1 has been determined from ab initio calculations using the coupled-cluster approach in conjunction with the correlation-consistent basis sets up to septuple-zeta quality. The results obtained with the conventional and explicitly correlated coupled-cluster methods are compared. The role of the core-electron correlation, higher-order valence-electron correlation, scalar relativistic, and adiabatic effects in determining the structure and dynamics of the SO2 molecule is discussed. The vibration-rotation energy levels of the (32) SO2 and (34) SO2 isotopologues were predicted using a variational approach. It was shown that the inclusion of the aforementioned effects was mandatory to attain the "spectroscopic" accuracy. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  14. S-matrix Calculations of Energy Levels of the Lithium Isoelectronic Sequence

    SciTech Connect

    sapirstein, J; Cheng, K T

    2010-11-02

    A QED approach to the calculation of the spectra of the lithium isoelectronic sequence is implemented. A modified Furry representation based on the Kohn-Sham potential is used to evaluate all one- and two-photon diagrams with the exception of the two-loop Lamb shift. Three-photon diagrams are estimated with Hamiltonian methods. After incorporating recent calculations of the two-loop Lamb shift and recoil corrections a comprehensive tabulation of the 2s, 2p{sub 1/2} and 2p{sub 3/2} energy levels as well as the 2s - 2p{sub 1/2} and 2s - 2p{sub 3/2} transition energies for Z = 10 - 100 is presented.

  15. Energy levels and radiative rates for Cr-like Cu VI and Zn VII

    NASA Astrophysics Data System (ADS)

    Aggarwal, K. M.; Bogdanovich, P.; Keenan, F. P.; Kisielius, R.

    2016-09-01

    Energy levels and radiative rates (A-values) for transitions in Cr-like Cu VI and Zn VII are reported. These data are determined in the quasi-relativistic approach (QR), by employing a very large configuration interaction (CI) expansion which is highly important for these ions. No radiative rates are available in the literature to compare with our results, but our calculated energies are in close agreement with those compiled by NIST and other available theoretical data, for a majority of the levels. The A-values (and resultant lifetimes) are listed for all significantly contributing E1, E2 and M1 radiative transitions among the energetically lowest 322 levels of each ion.

  16. A comparison of fatigue and energy levels at 6 weeks and 14 to 19 months postpartum.

    PubMed

    Troy, N W

    1999-05-01

    It has been assumed that women recover from pregnancy and childbirth within 6 weeks. Recent research shows that women's fatigue levels are the same, or higher, at 6 weeks postpartum as at the time of delivery. This study determined the differences in primiparous women's fatigue and energy levels at 6 weeks and 14 to 19 months postpartum. Determinations of how some contributing factors and outcomes of postpartum fatigue relate to each other and to fatigue and energy at 14 to 19 months postpartum were also made. Analyses revealed that women are more fatigued and less energetic at 14 to 19 months than they were at 6 weeks postpartum. Quality of sleep did not correlate with fatigue or energy. At 14 to 19 months postpartum return to full functional status is almost complete, with household and infant care responsibilities being most complete. The women were experiencing mild life crises of various sorts, were somewhat depressed, and were gratified in the mothering role.

  17. Calculation of energy levels and transition amplitudes for barium and radium.

    SciTech Connect

    Dzuba, V. A.; Flambaum, V. V.; Physics; Univ. of New South Wales

    2007-01-01

    The radium atom is a promising system for studying parity and time invariance violating weak interactions. However, available experimental spectroscopic data for radium are insufficient for designing an optimal experimental setup. We calculate the energy levels and transition amplitudes for radium states of significant interest. Forty states corresponding to all possible configurations consisting of the 7s, 7p and 6d single-electron states as well as the states of the 7s8s, 7s8p and 7s7d configurations have been calculated. The energies of ten of these states corresponding to the 6d{sup 2}, 7s8s, 7p{sup 2} and 6d7p configurations are not known from experiment. Calculations for barium are used to control the accuracy.

  18. Lamb shift of non-degenerate energy level systems placed between two infinite parallel conducting plates

    NASA Astrophysics Data System (ADS)

    Billaud, B.; Truong, T.-T.

    2013-01-01

    In this paper, the Lamb shift in systems with non-degenerate energy levels, put in the electromagnetic environment provided by two infinite parallel conducting plates, is analyzed. An explicit formula giving the relative Lamb shift (as compared to the standard one in a vacuum) is derived for spherical semiconductor quantum dots (QDs), via a careful mathematical treatment of divergences in the calculations using the theory of distributions. This result settles a controversy between two different formulas existing in the current literature. Its sensitive dependence on the plates separation may be viewed as an indirect manifestation of the Lamb shift and may be used for the fine tuning of the QD non-degenerate energy spectrum in some experimental contexts.

  19. An ab initio potential energy surface and vibrational energy levels of ZnH2.

    PubMed

    Huang, Zheng Guo; Yu, Lei; Dai, Yu Mei

    2010-04-15

    A three-dimensional potential energy surface of the electronic ground state of ZnH(2) (X1 Sigma(g)+) molecule is constructed from more than 7500 ab initio points calculated at the internally contracted multireference configuration interaction with the Davidson correction (icMRCI+Q) level employing large basis sets. The calculated relative energies of various dissociation reactions are in good agreement with the previous theoretical/experimental values. Low-lying vibrational energy levels of ZnH(2), ZnD(2), and HZnD are calculated on the three-dimensional potential energy surface using the Lanczos algorithm, and found to be in good agreement with the available experimental band origins and the previous theoretical values. 2009 Wiley Periodicals, Inc.

  20. THz Pulse Duration Influence on High Energy Level Excitation Due to Cascade Mechanism

    NASA Astrophysics Data System (ADS)

    Trofimov, Vyacheslav A.; Zagursky, Dmitry Yu.; Zakharova, Irina G.

    2017-04-01

    We study influence of an incident broadband THz pulse duration on the spectral features of a signal transmitted through/reflected from a substance covered by a disordered structure by means of computer simulation. It is well-known that under real conditions, the results of a standard THz TDS undergo various factors. For example, a substance under investigation can be put into a bulk medium with ordinary properties. This often results in the distortion of the reflected/transmitted pulse spectra and hence, one may reveal additional absorption frequencies which can be thought as belonging to a dangerous substance. An issue from this situation may be a substance emission spectrum using. As we showed the emission frequencies appear due to the cascade mechanism of higher energy level excitation. In this paper we study the incident THz pulse duration influence on the emission frequencies manifestation.

  1. Accuracy of analytic energy level formulas applied to hadronic spectroscopy of heavy mesons

    NASA Technical Reports Server (NTRS)

    Badavi, Forooz F.; Norbury, John W.; Wilson, John W.; Townsend, Lawrence W.

    1988-01-01

    Linear and harmonic potential models are used in the nonrelativistic Schroedinger equation to obtain article mass spectra for mesons as bound states of quarks. The main emphasis is on the linear potential where exact solutions of the S-state eigenvalues and eigenfunctions and the asymptotic solution for the higher order partial wave are obtained. A study of the accuracy of two analytical energy level formulas as applied to heavy mesons is also included. Cornwall's formula is found to be particularly accurate and useful as a predictor of heavy quarkonium states. Exact solution for all partial waves of eigenvalues and eigenfunctions for a harmonic potential is also obtained and compared with the calculated discrete spectra of the linear potential. Detailed derivations of the eigenvalues and eigenfunctions of the linear and harmonic potentials are presented in appendixes.

  2. Energy Level Effects on Deformation Mechanism in Micro-scale Laser Peen Forming

    SciTech Connect

    Wang,Y.; Fan, Y.; Vukelic, S.; Yao, Y.

    2007-01-01

    Laser micro-scale peen forming attracts more and more attention recently as one of laser processing technology because it not only imparts desirable residual stress into target to improve the fatigue life of the material but also precisely deforms the target. In the present study, energy level effects on deformation mechanism in laser micro-scale peen forming was investigated by both numerical and experimental methods. Deformation curvatures and residual stress distributions of both sides, characterized by x-ray microdiffraction, were compared with the results obtained from FEM simulation. Forming mechanism of convex and concave phenomena was explained in terms of the resulting pressure, compressive stress distribution, and plastic strain. Difference of residual stress distribution patterns was also studied from the point of view of forming mechanism.

  3. Energy levels of Th+ between 7.3 and 8.3 eV

    NASA Astrophysics Data System (ADS)

    Herrera-Sancho, O. A.; Nemitz, N.; Okhapkin, M. V.; Peik, E.

    2013-07-01

    Using resonant two-step laser excitation of trapped 232Th+ ions, we observe 43 previously unknown energy levels within the energy range from 7.3 to 8.3 eV. The high density of states promises a strongly enhanced electronic bridge excitation of the 229mTh nuclear state that is expected in this energy range. From the observation of resonantly enhanced three-photon ionization of Th+, the second ionization potential of thorium can be inferred to lie within the range between 11.9 and 12.3 eV. Pulsed laser radiation in a wide wavelength range from 237 to 289 nm is found to provide efficient photodissociation of molecular ions that are formed in reactions of Th+ with impurities in the buffer gas, leading to a significantly increased storage time for Th+ in the ion trap.

  4. Energy levels of neutral and singly ionized berkelium, /sup 249/Bk I and II

    SciTech Connect

    Worden, E.F.; Conway, J.G.; Blaise, J.

    1987-09-01

    Energy-level analyses of the observed emission spectrum of berkelium have yielded 179 odd and 186 even levels of neutral berkelium Bk I, and 42 odd and 117 even levels of singly ionized berkelium Bk II. The levels are tabulated with the J value, the g value, the configuration and hyperfine constants A and B, and the width given for many of the levels. The ground states of Bk I and Bk II are (Rn)5f/sup 9/7s/sup 2/ /sup 6/H/sup 0//sub 15/2/ and (Rn)5f/sup 9/7s /sup 7/H/sup 0//sub 8/, respectively. A table lists the lowest level of each identified electronic configuration of Bk I and Bk II.

  5. Charge separation at nanoscale interfaces: Energy-level alignment including two-quasiparticle interactions

    SciTech Connect

    Li, Huashan; Lin, Zhibin; Lusk, Mark T. Wu, Zhigang

    2014-10-21

    The universal and fundamental criteria for charge separation at interfaces involving nanoscale materials are investigated. In addition to the single-quasiparticle excitation, all the two-quasiparticle effects including exciton binding, Coulomb stabilization, and exciton transfer are considered, which play critical roles on nanoscale interfaces for optoelectronic applications. We propose a scheme allowing adding these two-quasiparticle interactions on top of the single-quasiparticle energy level alignment for determining and illuminating charge separation at nanoscale interfaces. Employing the many-body perturbation theory based on Green's functions, we quantitatively demonstrate that neglecting or simplifying these crucial two-quasiparticle interactions using less accurate methods is likely to predict qualitatively incorrect charge separation behaviors at nanoscale interfaces where quantum confinement dominates.

  6. Mean-field energy-level shifts and dielectric properties of strongly polarized Rydberg gases

    NASA Astrophysics Data System (ADS)

    Zhelyazkova, V.; Jirschik, R.; Hogan, S. D.

    2016-11-01

    Mean-field energy-level shifts arising as a result of strong electrostatic dipole interactions within dilute gases of polarized helium Rydberg atoms have been probed by microwave spectroscopy. The Rydberg states studied had principal quantum numbers n =70 and 72, and electric dipole moments of up to 14 050 D, and were prepared in pulsed supersonic beams at particle number densities on the order of 108 cm-3. Comparisons of the experimental data with the results of Monte Carlo calculations highlight effects of the distribution of nearest-neighbor spacings in the pulsed supersonic beams, and the dielectric properties of the strongly polarized Rydberg gases, on the microwave spectra. These observations reflect the emergence of macroscopic electrical properties of the atomic samples when strongly polarized.

  7. Energy levels and radiative transition rates for Ge XXXI, As XXXII, and Se XXXIII

    SciTech Connect

    Aggarwal, Sunny Singh, J.; Jha, A.K.S.; Mohan, Man

    2014-07-15

    Fine-structure energies of the 67 levels belonging to the 1s{sup 2}, 1s 2l, 1s3l, 1s4l, 1s5l, and 1s6l configurations of Ge XXXI, As XXXII, and Se XXXIII have been calculated using the General-Purpose Relativistic Atomic Structure Package. In addition, radiative rates, oscillator strengths, transition wavelengths, and line strengths have been calculated for all electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among these levels. Lifetimes are also presented for all excited levels of these three ions. We have compared our results with the results available in the literature and the accuracy of the data is assessed. We predict new energy levels, oscillator strengths, and transition probabilities where no other theoretical or experimental results are available, which will form the basis for future experimental work.

  8. Organic semiconductor density of states controls the energy level alignment at electrode interfaces

    PubMed Central

    Oehzelt, Martin; Koch, Norbert; Heimel, Georg

    2014-01-01

    Minimizing charge carrier injection barriers and extraction losses at interfaces between organic semiconductors and metallic electrodes is critical for optimizing the performance of organic (opto-) electronic devices. Here, we implement a detailed electrostatic model, capable of reproducing the alignment between the electrode Fermi energy and the transport states in the organic semiconductor both qualitatively and quantitatively. Covering the full phenomenological range of interfacial energy level alignment regimes within a single, consistent framework and continuously connecting the limiting cases described by previously proposed models allows us to resolve conflicting views in the literature. Our results highlight the density of states in the organic semiconductor as a key factor. Its shape and, in particular, the energy distribution of electronic states tailing into the fundamental gap is found to determine both the minimum value of practically achievable injection barriers as well as their spatial profile, ranging from abrupt interface dipoles to extended band-bending regions. PMID:24938867

  9. Wave energy level and geographic setting correlate with Florida beach water quality.

    PubMed

    Feng, Zhixuan; Reniers, Ad; Haus, Brian K; Solo-Gabriele, Helena M; Kelly, Elizabeth A

    2016-03-15

    Many recreational beaches suffer from elevated levels of microorganisms, resulting in beach advisories and closures due to lack of compliance with Environmental Protection Agency guidelines. We conducted the first statewide beach water quality assessment by analyzing decadal records of fecal indicator bacteria (enterococci and fecal coliform) levels at 262 Florida beaches. The objectives were to depict synoptic patterns of beach water quality exceedance along the entire Florida shoreline and to evaluate their relationships with wave condition and geographic location. Percent exceedances based on enterococci and fecal coliform were negatively correlated with both long-term mean wave energy and beach slope. Also, Gulf of Mexico beaches exceeded the thresholds significantly more than Atlantic Ocean ones, perhaps partially due to the lower wave energy. A possible linkage between wave energy level and water quality is beach sand, a pervasive nonpoint source that tends to harbor more bacteria in the low-wave-energy environment. Copyright © 2016 Elsevier Ltd. All rights reserved.

  10. Extreme black hole holography

    NASA Astrophysics Data System (ADS)

    Hartman, Thomas Edward

    The connection between black holes in four dimensions and conformal field theories (CFTs) in two dimensions is explored, focusing on zero temperature (extreme) black holes and their low-temperature cousins. It is shown that extreme black holes in a theory of quantum gravity are holographically dual to field theories living in two dimensions without gravity, and that the field theory reproduces a variety of black hole phenomena in detail. The extreme black hole/CFT correspondence is derived from a symmetry analysis near the horizon of a Kerr black hole with mass M and maximal angular momentum J=M 2. The asymptotic symmetry generators form one copy of the Virasoro algebra with central charge c=12J, which implies that the near-horizon quantum states are identical to those of a two-dimensional CFT. We discuss extensions of this result to near-extreme black holes and cosmological horizons. Astrophysical black holes are never exactly extremal, but the black hole GRS1915+105 observed through X-ray and radio telescopy is likely within 1% of the extremal spin, suggesting that this extraordinary and well studied object is approximately dual to a two-dimensional CFT with c˜1079. As evidence for the correspondence, microstate counting in the CFT is used to derive the Bekenstein-Hawking area law for the Kerr entropy, S=Horizon area/4. Furthermore, the correlators in the dual CFT are shown to reproduce the scattering amplitudes of a charged scalar or spin-½ field by a near-extreme Kerr-Newman black hole, and a neutral spin-1 or spin-2 field by a near-extreme Kerr black hole. Scattering amplitudes probe the vacuum of fields living on the black hole background. For scalars, bound superradiant modes lead to an instability, while for fermions, it is shown that the bound superradiant modes condense and form a Fermi sea which extends well outside the ergosphere. Assuming no further instabilities, the low energy effective theory near the black hole is described by ripples in the

  11. Excluding black hole firewalls with extreme cosmic censorship

    SciTech Connect

    Page, Don N.

    2014-06-01

    The AMPS argument for black hole firewalls seems to arise not only from the assumption of local effective field theory outside the stretched horizon but also from an overcounting of internal black hole states that include states that are singular in the past. Here I propose to exclude such singular states by Extreme Cosmic Censorship (the conjectured principle that the universe is entirely nonsingular, except for transient singularities inside black and/or white holes). I argue that the remaining set of nonsingular realistic states do not have firewalls but yet preserve information in Hawking radiation from black holes that form from nonsingular initial states.

  12. Understanding the rotation of coronal holes

    NASA Technical Reports Server (NTRS)

    Wang, Y.-M.; Sheeley, N. R., Jr.

    1993-01-01

    In an earlier study we found that the rotation of coronal holes could be understood on the basis of a nearly current-free coronal field, with the holes representing open magnetic regions. In this paper we illustrate the model by focusing on the case of CH1, the rigidly rotating boot-shaped hole observed by Skylab. We show that the interaction between the polar fields and the flux associated with active regions produces distortions in the coronal field configuration and thus in the polar-hole boundaries; these distortions corotate with the perturbing nonaxisymmetric flux. In the case of CH1, positive-polarity field lines in the northern hemisphere 'collided' with like-polarity field lines fanning out from a decaying active region complex located just below the equator, producing a midlatitude corridor of open field lines rotating at the rate of the active region complex. Sheared coronal holes result when nonaxisymmetric flux is present at high latitudes, or equivalently, when the photospheric neutral line extends to high latitudes. We demonstrate how a small active region, rotating at the local photospheric rate, can drift through a rigidly rotating hole like CH1. Finally, we discuss the role of field-line reconnection in maintaining a quasi-potential coronal configuration.

  13. Reliable Energy Level Alignment at Physisorbed Molecule–Metal Interfaces from Density Functional Theory

    PubMed Central

    2015-01-01

    A key quantity for molecule–metal interfaces is the energy level alignment of molecular electronic states with the metallic Fermi level. We develop and apply an efficient theoretical method, based on density functional theory (DFT) that can yield quantitatively accurate energy level alignment information for physisorbed metal–molecule interfaces. The method builds on the “DFT+Σ” approach, grounded in many-body perturbation theory, which introduces an approximate electron self-energy that corrects the level alignment obtained from conventional DFT for missing exchange and correlation effects associated with the gas-phase molecule and substrate polarization. Here, we extend the DFT+Σ approach in two important ways: first, we employ optimally tuned range-separated hybrid functionals to compute the gas-phase term, rather than rely on GW or total energy differences as in prior work; second, we use a nonclassical DFT-determined image-charge plane of the metallic surface to compute the substrate polarization term, rather than the classical DFT-derived image plane used previously. We validate this new approach by a detailed comparison with experimental and theoretical reference data for several prototypical molecule–metal interfaces, where excellent agreement with experiment is achieved: benzene on graphite (0001), and 1,4-benzenediamine, Cu-phthalocyanine, and 3,4,9,10-perylene-tetracarboxylic-dianhydride on Au(111). In particular, we show that the method correctly captures level alignment trends across chemical systems and that it retains its accuracy even for molecules for which conventional DFT suffers from severe self-interaction errors. PMID:25741626

  14. Energy levels and transition rates for the boron isoelectronic sequence: Si X, Ti XVIII - Cu XXV

    NASA Astrophysics Data System (ADS)

    Jönsson, P.; Ekman, J.; Gustafsson, S.; Hartman, H.; Karlsson, L. B.; du Rietz, R.; Gaigalas, G.; Godefroid, M. R.; Froese Fischer, C.

    2013-11-01

    Relativistic configuration interaction (RCI) calculations are performed for 291 states belonging to the configurations 1s22s22p, 1s22s2p2, 1s22p3, 1s22s23l, 1s22s2p3l, 1s22p23l, 1s22s24l', 1s22s2p4l', and 1s22p24l' (l = 0,1,2 and l' = 0,1,2,3) in boron-like ions Si X and Ti XVIII to Cu XXV. Electron correlation effects are represented in the wave functions by large configuration state function (CSF) expansions. States are transformed from jj-coupling to LS-coupling, and the LS-percentage compositions are used for labeling the levels. Radiative electric dipole transition rates are given for all ions, leading to massive data sets. Calculated energy levels are compared with other theoretical predictions and crosschecked against the Chianti database, NIST recommended values, and other observations. The accuracy of the calculations are high enough to facilitate the identification of observed spectral lines. Research supported in part by the Swedish Research council and the Swedish Institute. Part of this work was supported by the Communauté française of Belgium, the Belgian National Fund for Scientific Research (FRFC/IISN Convention) and by the IUAP-Belgian State Science Policy (BriX network P7/12).Tables of energy levels and transition rates (Tables 3-19) are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/559/A100

  15. Energy levels, radiative rates, and lifetimes for transitions in W XL

    SciTech Connect

    Aggarwal, Kanti M. Keenan, Francis P.

    2014-11-15

    Energy levels and radiative rates are reported for transitions in Br-like tungsten, W XL, calculated with the general-purpose relativistic atomic structure package (GRASP). Configuration interaction (CI) has been included among 46 configurations (generating 4215 levels) over a wide energy range up to 213 Ryd. However, for conciseness results are only listed for the lowest 360 levels (with energies up to ∼43 Ryd), which mainly belong to the 4s{sup 2}4p{sup 5},4s{sup 2}4p{sup 4}4d,4s{sup 2}4p{sup 4}4f,4s4p{sup 6},4p{sup 6}4d,4s4p{sup 5}4d,4s{sup 2}4p{sup 3}4d{sup 2}, and 4s{sup 2}4p{sup 3}4d4f configurations, and provided for four types of transitions, E1, E2, M1, and M2. Comparisons are made with existing (but limited) results. However, to fully assess the accuracy of our data, analogous calculations have been performed with the flexible atomic code, including an even larger CI than in GRASP. Our energy levels are estimated to be accurate to better than 0.02 Ryd, whereas results for radiative rates (and lifetimes) should be accurate to better than 20% for a majority of the strong transitions.

  16. First-Principles Approach to Energy Level Alignment at Aqueous Semiconductor Interfaces

    NASA Astrophysics Data System (ADS)

    Hybertsen, Mark

    2015-03-01

    We have developed a first principles method to calculate the energy level alignment between semiconductor band edges and reference energy levels at aqueous interfaces. This alignment is fundamental to understand the electrochemical characteristics of any semiconductor electrode in general and the potential for photocatalytic activity in particular. For example, in the search for new photo-catalytic materials, viable candidates must demonstrate both efficient absorption of the solar spectrum and an appropriate alignment of the band edge levels in the semiconductor to the redox levels for the target reactions. In our approach, the interface-specific contribution to the electrostatic step across the interface is evaluated using density functional theory (DFT) based molecular dynamics to sample the physical interface structure and the corresponding change in the electrostatic potential at the interface. The reference electronic levels in the semiconductor and in the water are calculated using the GW approach, which naturally corrects for errors inherent in the use of Kohn-Sham energy eigenvalues to approximate the electronic excitation energies in each material. Taken together, our calculations provide the alignment of the semiconductor valence band edge to the centroid of the highest occupied 1b1 level in water. The known relationship of the 1b1 level to the normal hydrogen electrode completes the connection to electrochemical levels. We discuss specific results for GaN, ZnO, and TiO2. The effect of interface structural motifs, such as different degrees of water dissociation, and of dynamical characteristics, will be presented together with available experimental data. Work supported by the US Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-98CH10886.

  17. Energy levels and transition rates for helium-like ions with Z = 10-36

    NASA Astrophysics Data System (ADS)

    Si, R.; Guo, X. L.; Wang, K.; Li, S.; Yan, J.; Chen, C. Y.; Brage, T.; Zou, Y. M.

    2016-08-01

    Aims: Helium-like ions provide an important X-ray spectral diagnostics in astrophysical and high-temperature fusion plasmas. An interpretation of the observed spectra provides information on temperature, density, and chemical compositions of the plasma. Such an analysis requires information for a wide range of atomic parameters, including energy levels and transition rates. Our aim is to provide a set of accurate energy levels and transition rates for helium-like ions with Z = 10-36. Methods: The second-order many-body perturbation theory (MBPT) was adopted in this paper. To support our MBPT results, we performed an independent calculation using the multiconfiguration Dirac-Hartree-Fock (MCDHF) method. Results: We provide accurate energies for the lowest singly excited 70 levels among 1snl(n ≤ 6,l ≤ (n-1)) configurations and the lowest doubly excited 250 levels arising from the K-vacancy 2ln'l'(n' ≤ 6,l' ≤ (n'-1)) configurations of helium-like ions with Z = 10-36. Wavelengths, transition rates, oscillator strengths, and line strengths are calculated for the E1, M1, E2, and M2 transitions among these levels. The radiative lifetimes are reported for all the calculated levels. Conclusions: Our MBPT results for singly excited n ≤ 2 levels show excellent agreement with other elaborate calculations, while those for singly excited n ≥ 3 and doubly excited levels show significant improvements over previous theoretical results. Our results will be very helpful for astrophysical line identification and plasma diagnostics. Full Tables 1 and 2 are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/592/A141

  18. Spectrum and energy levels of quadruply-ionized molybdenum (Mo V)

    NASA Astrophysics Data System (ADS)

    Reader, Joseph; Tauheed, Ahmad

    2015-07-01

    The spectrum of quadruply-ionized molybdenum Mo V was observed from 200 to 4700 Å with sliding spark discharges on 10.7 m normal- and grazing-incidence spectrographs. The existing analyses of this spectrum (Tauheed et al 1985 Phys. Scr. 31 369; Cabeza et al 1986 Phys. Scr. 34 223) were extended to include the 5s2, 5p2, 5s5d, 5s6s, 4d5f, and 4d5g configurations as well as the missing 3H6 level of 4d4f and about 75 levels of the core-excited configuration 4p54d3. The values of the 4d5d 1S0, 5s5p 1P1, and 4d6p 3P0 levels were revised. There are now about 900 lines classified as transitions between 66 even parity and 191 odd parity energy levels. Of these, about 600 lines and 130 levels are new. From the optimized energy level values, Ritz-type wavelengths were determined for about 380 lines, with uncertainties varying from 0.0003 to 0.002 Å. The observed configurations were theoretically interpreted by means of Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels. The fitted parameters were used to calculate oscillator strengths for all classified lines. A few unclassified lines and undesignated levels are also given. An improved value for the ionization energy was obtained by combining the observed energy of the 4d5g configuration with an ab initio calculation of its term value. The adopted value is 438 900 ± 150 cm-1 (54.417 ± 0.019 eV).

  19. Cascade splitting of two atomic energy levels due to multiphoton absorption

    NASA Astrophysics Data System (ADS)

    Ruan, Ya-Ping; Jia, Feng-Dong; Sun, Zhen; Lv, Shuang-Fei; Qing, Bo; Huang, Wei; Xue, Ping; Xu, Xiang-Yuan; Dai, Xing-Can; Zhong, Zhi-Ping

    2014-09-01

    We have theoretically and experimentally studied the spectroscopic properties of dressed levels in a strong monochromatic field, and propose a model of cascade splitting of two atomic energy levels. In this model two related dressed levels can be split into four levels, and transitions connecting four new levels will constitute spectroscopic structures. Two types of proof-in-principle experiments are performed to verify the model. One experiment measures the probe absorption spectra of a degenerate two-level atomic system with two strong monochromatic coupling fields. The system consists of 52S1/2,F=2 and 52P3/2,F'=3 states of Rb87 atoms in a magneto-optical trap (MOT) as well as the cooling beams and an additional coupling field. New spectral features are observed and proven to be due to the transitions of new levels generated by splitting of the dressed levels. The other experiment measures the pump-probe spectra in a degenerate two-level atomic system with one strong monochromatic coupling field. The system consists of 52S1/2,F=2 and 52P3/2,F'=3 states of the Rb87 atom in a magneto-optical trap and one coupling field. We have observed spectral features that obviously differ from the prediction that comes from the two-level dressed-atom approach. They cannot be explained by existing theories. The model of cascade splitting of two atomic energy levels is employed to explain the observations in these two types of experiments.

  20. Reliable Energy Level Alignment at Physisorbed Molecule–Metal Interfaces from Density Functional Theory

    DOE PAGES

    Egger, David A.; Liu, Zhen-Fei; Neaton, Jeffrey B.; ...

    2015-03-05

    We report a key quantity for molecule–metal interfaces is the energy level alignment of molecular electronic states with the metallic Fermi level. We develop and apply an efficient theoretical method, based on density functional theory (DFT) that can yield quantitatively accurate energy level alignment information for physisorbed metal–molecule interfaces. The method builds on the “DFT+Σ” approach, grounded in many-body perturbation theory, which introduces an approximate electron self-energy that corrects the level alignment obtained from conventional DFT for missing exchange and correlation effects associated with the gas-phase molecule and substrate polarization. Here, we extend the DFT+Σ approach in two important ways:more » first, we employ optimally tuned range-separated hybrid functionals to compute the gas-phase term, rather than rely on GW or total energy differences as in prior work; second, we use a nonclassical DFT-determined image-charge plane of the metallic surface to compute the substrate polarization term, rather than the classical DFT-derived image plane used previously. We validate this new approach by a detailed comparison with experimental and theoretical reference data for several prototypical molecule–metal interfaces, where excellent agreement with experiment is achieved: benzene on graphite (0001), and 1,4-benzenediamine, Cu-phthalocyanine, and 3,4,9,10-perylene-tetracarboxylic-dianhydride on Au(111). In particular, we show that the method correctly captures level alignment trends across chemical systems and that it retains its accuracy even for molecules for which conventional DFT suffers from severe self-interaction errors.« less

  1. Casimir-Polder-like force on an atom outside a Schwarzschild black hole

    SciTech Connect

    Zhang Jialin; Yu Hongwei

    2011-10-15

    We calculate, in the framework of open quantum systems, the ground state energy-level shift for a static two-level atom outside a spherically symmetric black hole in interaction with fluctuating massless scalar fields in the Boulware and Unruh vacuums. We find that the energy-level shift is position dependent and thus gives rise to a force on the atom besides the classical gravitational force. For the case of the Boulware vacuum that represents a star which has not collapsed through its event horizon, this force is attractive near the horizon and is repulsive far away from the black hole with a behavior of r{sup -3}. For the case of the Unruh vacuum which represents a radiating black hole, we find that the contribution to the Casimir-Polder-like force due to the presence of Hawking radiation is always attractive and, remarkably, this attractive force diverges at the event horizon.

  2. Electronic structure evolution and energy level alignment at C60/4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl) benzenamine]/MoOx/indium tin oxide interfaces

    NASA Astrophysics Data System (ADS)

    Liu, Xiaoliang; Yi, Shijuan; Wang, Chenggong; Wang, Congcong; Gao, Yongli

    2014-04-01

    The electronic structure evolution and energy level alignment have been investigated at interfaces comprising fullerene (C60)/4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl) benzenamine] (TAPC)/ molybdenum oxide (MoOx)/ indium tin oxide with ultraviolet photoemission spectroscopy and inverse photoemission spectroscopy. With deposition of TAPC upon MoOx, a dipole of 1.58 eV was formed at the TAPC/MoOx interface due to electron transfer from TAPC to MoOx. The highest occupied molecular orbital (HOMO) onset of TAPC was pinned closed to the Fermi level, leading to a p-doped region and thus increasing the carrier concentration at the very interface. The downward band bending and the resulting built-in field in TAPC were favorable for the hole transfer toward the TAPC/MoOx interface. The rigid downward shift of energy levels of TAPC indicated no significant interface chemistry at the interface. With subsequent deposition of C60 on TAPC, a dipole of 0.27 eV was observed at the C60/TAPC heterojunction due to the electron transfer from TAPC to C60. This led to a drop of the HOMO of TAPC near the C60/TAPC interface, and hence further enhanced the band bending in TAPC. The band bending behavior was also observed in C60, similarly creating a built-in field in C60 film and improving the electron transfer away from the C60/TAPC interface. It can be deduced from the interface analysis that a promising maximum open circuit voltage of 1.5 eV is achievable in C60/TAPC-based organic photovoltaic cells.

  3. Entropy of quasiblack holes

    SciTech Connect

    Lemos, Jose P. S.; Zaslavskii, Oleg B.

    2010-03-15

    We trace the origin of the black hole entropy S, replacing a black hole by a quasiblack hole. Let the boundary of a static body approach its own gravitational radius, in such a way that a quasihorizon forms. We show that if the body is thermal with the temperature taking the Hawking value at the quasihorizon limit, it follows, in the nonextremal case, from the first law of thermodynamics that the entropy approaches the Bekenstein-Hawking value S=A/4. In this setup, the key role is played by the surface stresses on the quasihorizon and one finds that the entropy comes from the quasihorizon surface. Any distribution of matter inside the surface leads to the same universal value for the entropy in the quasihorizon limit. This can be of some help in the understanding of black hole entropy. Other similarities between black holes and quasiblack holes such as the mass formulas for both objects had been found previously. We also discuss the entropy for extremal quasiblack holes, a more subtle issue.

  4. ULTRAMASSIVE BLACK HOLE COALESCENCE

    SciTech Connect

    Khan, Fazeel Mahmood; Holley-Bockelmann, Kelly; Berczik, Peter E-mail: k.holley@vanderbilt.edu

    2015-01-10

    Although supermassive black holes (SMBHs) correlate well with their host galaxies, there is an emerging view that outliers exist. Henize 2-10, NGC 4889, and NGC 1277 are examples of SMBHs at least an order of magnitude more massive than their host galaxy suggests. The dynamical effects of such ultramassive central black holes is unclear. Here, we perform direct N-body simulations of mergers of galactic nuclei where one black hole is ultramassive to study the evolution of the remnant and the black hole dynamics in this extreme regime. We find that the merger remnant is axisymmetric near the center, while near the large SMBH influence radius, the galaxy is triaxial. The SMBH separation shrinks rapidly due to dynamical friction, and quickly forms a binary black hole; if we scale our model to the most massive estimate for the NGC 1277 black hole, for example, the timescale for the SMBH separation to shrink from nearly a kiloparsec to less than a parsec is roughly 10 Myr. By the time the SMBHs form a hard binary, gravitational wave emission dominates, and the black holes coalesce in a mere few Myr. Curiously, these extremely massive binaries appear to nearly bypass the three-body scattering evolutionary phase. Our study suggests that in this extreme case, SMBH coalescence is governed by dynamical friction followed nearly directly by gravitational wave emission, resulting in a rapid and efficient SMBH coalescence timescale. We discuss the implications for gravitational wave event rates and hypervelocity star production.

  5. Enhanced absorption of microwaves within cylindrical holes in Teflon film.

    PubMed

    Alekseev, Stanislav I; Fesenko, Evgeny E; Ziskin, Marvin C

    2010-10-01

    Earlier publications demonstrated that 0.9 GHz microwave exposure induced notable changes of the conductivity of modified bilayer lipid membranes (BLM) formed in holes in thin Teflon film (TF). The aims of this study were: 1) to perform detailed calculations of the microwave field distributions in holes formed in TF, using the finite-difference time-domain technique and 2) to model microwave heating of the hole under the conditions used in the BLM experiments but in the absence of BLM in the hole. We found that with the E-field oriented perpendicular to the TF plane the local-specific absorption rate in holes increased significantly. The increase became larger with increasing electrolyte concentration and with decreasing diameter of the hole and frequency. The calculated temperature elevations in the hole were in good agreement with those determined experimentally. These findings allowed us to conclude that the microwave effects on BLM conductivity reported previously resulted mostly from the enhanced absorption of microwave energy by the membrane-forming holes and subsequent local temperature elevation in the holes.

  6. Antarctic Ozone Hole, 2000

    NASA Technical Reports Server (NTRS)

    2002-01-01

    Each spring the ozone layer over Antarctica nearly disappears, forming a 'hole' over the entire continent. The hole is created by the interaction of some man-made chemicals-freon, for example-with Antarctica's unique weather patterns and extremely cold temperatures. Ozone in the stratosphere absorbs ultraviolet radiation from the sun, thereby protecting living things. Since the ozone hole was discovered many of the chemicals that destroy ozone have been banned, but they will remain in the atmosphere for decades. In 2000, the ozone hole grew quicker than usual and exceptionally large. By the first week in September the hole was the largest ever-11.4 million square miles. The top image shows the average total column ozone values over Antarctica for September 2000. (Total column ozone is the amount of ozone from the ground to the top of the atmosphere. A relatively typical measurement of 300 Dobson Units is equivalent to a layer of ozone 0.12 inches thick on the Earth's surface. Levels below 220 Dobson Units are considered to be significant ozone depletion.) The record-breaking hole is likely the result of lower than average ozone levels during the Antarctic fall and winter, and exceptionally cold temperatures. In October, however (bottom image), the hole shrank dramatically, much more quickly than usual. By the end of October, the hole was only one-third of it's previous size. In a typical year, the ozone hole does not collapse until the end of November. NASA scientists were surprised by this early shrinking and speculate it is related to the region's weather. Global ozone levels are measured by the Total Ozone Mapping Spectrometer (TOMS). For more information about ozone, read the Earth Observatory's ozone fact sheet, view global ozone data and see these ozone images. Images by Greg Shirah, NASA GSFC Scientific Visualization Studio.

  7. Optical probing of MgZnO/ZnO heterointerface confinement potential energy levels

    SciTech Connect

    Solovyev, V. V.; Van'kov, A. B.; Kukushkin, I. V.; Falson, J.; Kozuka, Y.; Zhang, D.; Smet, J. H.; Maryenko, D.; Tsukazaki, A.; Kawasaki, M.

    2015-02-23

    Low-temperature photoluminescence and reflectance measurements were employed to study the optical transitions present in two-dimensional electron systems confined at Mg{sub x}Zn{sub 1–x}O/ZnO heterojunctions. Transitions involving A- and B-holes and electrons from the two lowest subbands formed within the confinement potential are detected. In the studied density range of 2.0–6.5 × 10{sup 11 }cm{sup −2}, the inter-subband splitting is measured and the first excited electron subband is shown to be empty of electrons.

  8. Measuring Black Hole Spin

    NASA Astrophysics Data System (ADS)

    Garmire, Gordon

    1999-09-01

    WE PROPOSE TO CARRY OUT A SYSTEMATIC STUDY OF EMISSION AND ABSORPTION SPECTRAL FEATURES THAT ARE OFTEN SEEN IN X-RAY SPECTRA OF BLACK HOLE BINARIES. THE EXCELLENT SENSITIVITY AND ENERGY RESOLUTION OF THE ACIS/HETG COMBINATION WILL NOT ONLY HELP RESOLVE AMBIGUITIES IN INTERPRETING THESE FEATURES, BUT MAY ALLOW MODELLING OF THE EMISSION LINE PROFILES IN DETAIL. THE PROFILES MAY CONTAIN INFORMATION ON SUCH FUNDAMENTAL PROPERTIES AS THE SPIN OF BLACK HOLES. THEREFORE, THIS STUDY COULD LEAD TO A MEASUREMENT OF BLACK HOLE SPIN FOR SELECTED SOURCES. THE RESULT CAN THEN BE DIRECTLY COMPARED WITH THOSE FROM PREVIOUS STUDIES BASED ON INDEPENDENT METHODS.

  9. Substantial Coronal Holes

    NASA Image and Video Library

    2016-10-21

    A pair of large coronal holes rotated into view over the past few days (Oct. 20-21, 2016). Coronal holes appear dark in certain wavelengths of extreme ultraviolet light, such as in the wavelength used here. These holes are areas of open magnetic field that spew solar wind into space. Sometimes, when they are facing Earth, they can cause geomagnetic disturbances that generate aurora. The lines you see were drawn to represent how solar scientists are modeling the magnetic field lines. Movies are available at the Photojournal http://photojournal.jpl.nasa.gov/catalog/PIA15378

  10. Coronal Hole Coming Around

    NASA Image and Video Library

    2016-12-06

    A substantial coronal hole began to rotate into view over the past few days (Dec. 1-2, 2016). Coronal holes are magnetically open areas of the sun's magnetic field structure that spew streams of high speed solar wind into space. In about a week or so that coronal hole might send streams of particles in the direction of Earth. Often times these streams can interact with Earth's magnetosphere and generate aurora. The images were taken in a wavelength of extreme ultraviolet light. Movies are available at http://photojournal.jpl.nasa.gov/catalog/PIA21208

  11. Returning Coronal Hole

    NASA Image and Video Library

    2017-02-06

    A substantial coronal hole rotated across the face of the sun this past week and is again streaming solar wind towards Earth (Jan. 30 - Feb. 2, 2017). This same coronal hole was facing Earth about a month ago and has rotated into a similar position again. Coronal holes are areas of open magnetic field from which solar wind particles stream into space. In this wavelength of extreme ultraviolet light it appears as a dark area near the center and lower portion of the sun. Movies are available at http://photojournal.jpl.nasa.gov/catalog/PIA11177

  12. Coronal Hole Faces Earth

    NASA Image and Video Library

    2017-08-14

    A substantial coronal hole rotated into a position where it is facing Earth (Aug. 9-11, 2017). Coronal holes are areas of open magnetic field that spew out charged particles as solar wind that spreads into space. If that solar wind interacts with our own magnetosphere it can generate aurora. In this view of the sun in extreme ultraviolet light, the coronal hole appears as the dark stretch near the center of the sun. It was the most distinctive feature on the sun over the past week. Movies are available at https://photojournal.jpl.nasa.gov/catalog/PIA21874

  13. Conjugated polymers based on benzo[2,1-b:3,4-b']dithiophene with low-lying highest occupied molecular orbital energy levels for organic photovoltaics.

    PubMed

    Xiao, Shengqiang; Stuart, Andrew C; Liu, Shubin; You, Wei

    2009-07-01

    Fusing bithiophene units with a benzo moiety, benzo[2,1-b:3,4-b']dithiophene (BDT), was projected by theoretical calculations to lower the highest occupied molecular orbital (HOMO) energy level of the resulting polymers compared with that of the bithiophene unit, which would enhance the open circuit voltage of bulk heterojunction photovoltaic cells fabricated from BDT-based polymers blended with PCBM. The homopolymer of BDT (HMPBDT) and alternating copolymer of BDT with 2,1,3-benzothiadiazole (PBDT-BT) were therefore synthesized and fully characterized. Both the homopolymer (HMPBDT) and the copolymer (PBDT-BT) were experimentally confirmed to have low HOMO energy levels (-5.70 eV for HMPBDT and -5.34 eV for PBDT-BT). Introducing the acceptor moiety (2,1,3-benzothiadiazole) successfully lowered the optical band gap of the copolymer from 2.31 eV (HMPBDT) to 1.78 eV (PBDT-BT). Bulk heterojunction photovoltaic devices were fabricated from blends of these structurally related polymers with PBCM to investigate the photovoltaic performances. The optimized device of HMPBDT:PCBM (1:3, 180 nm) exhibited an improved open circuit voltage (V(oc)) of 0.76 V, a short circuit current (J(sc)) of 0.34 mA/cm(2), and a fill factor (FF) of 0.40, offering an overall efficiency of 0.10%. The observed large phase separation of the thin film by AFM and the large band gap were accountable for the small current. The optimized device of PBDT-BT:PCBM (1:3, 55 nm) demonstrated a better efficiency of 0.6%, with V(oc) = 0.72 V, J(sc) = 2.06 mA/cm(2), and FF = 0.42. The much improved current was attributed to the lower bandgap and better film morphology. However, the low hole mobility limited the thickness of the PBDT-BT:PCBM film, making inaccessible the thicker film which would utilize more light and enhance the current. Further improvements are expected if the mobility and film morphology can be improved by the new materials design, together with low band gap and low HOMO energy level.

  14. Self stimulated particles generation by black holes

    NASA Astrophysics Data System (ADS)

    Gaina, Alex

    2005-10-01

    The Ideea of Black Holes Bomb was one of the most intriguing in the gravitational physics. Bohr was the first who quantized the levels of an atom. Subsequently his disciple J. A. Wheeler (1971) quantized the mass spin 0 and 1/2 levels near a black hole, described by a Schwarzschild metric. It is strange, but after this work the interest was drawn to Kerr black holes, due to discovery of particles generation by Ya. B. Zel'dovich and Ch. Misner in 1972. As a result, the ideea of a Black Holes bomb was announced by W.H. Press and S. Teukolsky in 1972. L.Ford (1975) observed, that test particles mass plays a role of a mirror, which could develope an instability. That ideea was independently discussed by Deruelle and Ruffini (1974) and Damour, Deruelle and Rufffini (1976), using WKB approach, while the analytic treatment of the bound levels problem in Kerr field for microscopically small black holes and mass particles was given by Ternov, Khalilov, Chizhov and Gaina (1978) and A. Vilenkin (1978) for a Kerr black hole inside a mirror. Once a particle could be localized on a bound level near a non-rotating (Schwarzschild ) black hole, due to stimulation, it will induces generation of another particles with the same quantum numbers (on the same level). This process will be a self-stimulated generation of particles, which was discussed in the literature by R. Wald and J. York, Jr. The accumulatiion of bosons on the bound levels, particularly on the s-bound level, will be exponentially fast for microscopically small black holes and will lead to a true instablity of Schwarzschild black holes. This is valid for bosons only, since the Fermi-Dirac statistics interdicts the accumulation of more than two particles with oposite spin. As a result the Black Holes mass will be limited M>= 8"pi"/5 x (M(pl))^2/m , where m is the scalar particles minimal rest mass, existing in nature, since the maximal growing rate for the instability is occuring for mM=8"pi"/5(M(pl))^2. If photon have a

  15. Growing hair on the extremal BTZ black hole

    NASA Astrophysics Data System (ADS)

    Harms, B.; Stern, A.

    2017-06-01

    We show that the nonlinear σ-model in an asymptotically AdS3 space-time admits a novel local symmetry. The field action is assumed to be quartic in the nonlinear σ-model fields and minimally coupled to gravity. The local symmetry transformation simultaneously twists the nonlinear σ-model fields and changes the space-time metric, and it can be used to map the extremal BTZ black hole to infinitely many hairy black hole solutions.

  16. Linear Waves in the Interior of Extremal Black Holes I

    NASA Astrophysics Data System (ADS)

    Gajic, Dejan

    2017-07-01

    We consider solutions to the linear wave equation in the interior region of extremal Reissner-Nordström black holes. We show that, under suitable assumptions on the initial data, the solutions can be extended continuously beyond the Cauchy horizon and, moreover, that their local energy is finite. This result is in contrast with previously established results for subextremal Reissner-Nordström black holes, where the local energy was shown to generically blow up at the Cauchy horizon.

  17. Introducing the Black Hole

    ERIC Educational Resources Information Center

    Ruffini, Remo; Wheeler, John A.

    1971-01-01

    discusses the cosmology theory of a black hole, a region where an object loses its identity, but mass, charge, and momentum are conserved. Include are three possible formation processes, theorized properties, and three way they might eventually be detected. (DS)

  18. Straight hole driller

    SciTech Connect

    Samford, T.L.

    1981-08-25

    For use in a drilling string, the preferred and illustrated embodiment depicts a drill collar to be placed in the lower parts of the drill string for straightening the hole. The preferred embodiment utilizes a generally square drill collar with a thick or heavy wall. It is square in cross section along the greater portion of its length, the four corners being slightly rounded to a specified diameter on rotation, and the four lengthwise corners of the regular cross section are all reinforced with hardfacing material to a specified depth, typically tungsten carbide. The four edges abrade the bore hole as the drill string penetrates the earth. In addition, the lower end of the tubular body includes lengthwise flutes in the form known on a stabilizer to guide the hole straightening device into the hole to be reamed by operation of the device.

  19. Two Coronal Holes

    NASA Image and Video Library

    2015-04-03

    A pair of substantial coronal holes were the most notable features on the Sun over the week of Mar. 28 - Apr. 2, 2015. The images were taken in a wavelength of extreme ultraviolet light by NASA GSFC Solar Dynamics Observatory.

  20. Illuminating black holes

    NASA Astrophysics Data System (ADS)

    Barr, Ian A.; Bull, Anne; O'Brien, Eileen; Drillsma-Milgrom, Katy A.; Milgrom, Lionel R.

    2016-07-01

    Two-dimensional shadows formed by illuminating vortices are shown to be visually analogous to the gravitational action of black holes on light and surrounding matter. They could be useful teaching aids demonstrating some of the consequences of general relativity.

  1. Introducing the Black Hole

    ERIC Educational Resources Information Center

    Ruffini, Remo; Wheeler, John A.

    1971-01-01

    discusses the cosmology theory of a black hole, a region where an object loses its identity, but mass, charge, and momentum are conserved. Include are three possible formation processes, theorized properties, and three way they might eventually be detected. (DS)

  2. A Black Hole Choir.

    NASA Image and Video Library

    2016-07-28

    The blue dots in this field of galaxies, known as the COSMOS field, show galaxies that contain supermassive black holes emitting high-energy X-rays. The black holes were detected by NASA's Nuclear Spectroscopic Array, or NuSTAR, which spotted 32 such black holes in this field and has observed hundreds across the whole sky so far. The other colored dots are galaxies that host black holes emitting lower-energy X-rays, and were spotted by NASA's Chandra X-ray Observatory. Chandra data show X-rays with energies between 0.5 to 7 kiloelectron volts, while NuSTAR data show X-rays between 8 to 24 kiloelectron volts. http://photojournal.jpl.nasa.gov/catalog/PIA20865

  3. Missing Black Holes Found!

    NASA Image and Video Library

    2007-10-25

    NASA Spitzer and Chandra space telescopes have uncovered a long-lost population of active supermassive black holes, or quasars located deep in the bellies of distant, massive galaxies circled in blue.

  4. Topsy Turvy Black Holes

    NASA Image and Video Library

    2013-11-26

    The magenta spots in this image from NASA NuSTAR show two black holes in the spiral galaxy called NGC 1313, or the Topsy Turvy galaxy, located about 13 million light-years away in the Reticulum constellation.

  5. Inclination Angles of Black Hole X-Ray Binaries Manifest Strong Gravity around Black Holes

    NASA Technical Reports Server (NTRS)

    Zhang, S. N.; Zhang, Xiao-Ling; Yao, Yangsen

    2002-01-01

    System inclination angles have been determined for about 15 X-ray binaries, in which stellar mass black holes are considered to exist. These inclination angles range between 25 degrees and 80 degrees, but peaked between 60-70 degrees. This peak is not explained in the frame work of Newtonian gravity. However, this peak is reproduced naturally if we model the observed X-ray radiations as being produced in the accretion disks very close to the black hole horizons, where the extremely strong general and special relativistic effects, caused by the extremely strong gravity near the black hole horizons, modify the local radiation significantly as the X-rays propagate to the remote observer. Therefore the peak of the inclination angle distribution provides evidence or strong gravity around stellar mass black holes.

  6. Rotating Black Holes and the Kerr Metric

    NASA Astrophysics Data System (ADS)

    Kerr, Roy Patrick

    2008-10-01

    Since it was first discovered in 1963 the Kerr metric has been used by relativists as a test-bed for conjectures on worm-holes, time travel, closed time-like loops, and the existence or otherwise of global Cauchy surfaces. More importantly, it has also used by astrophysicists to investigate the effects of collapsed objects on their local environments. These two groups of applications should not be confused. Astrophysical Black Holes are not the same as the Kruskal solution and its generalisations.

  7. Spacetime topology change and black hole information

    NASA Astrophysics Data System (ADS)

    Hsu, Stephen D. H.

    2007-01-01

    Topology change-the creation of a disconnected baby universe-due to black hole collapse may resolve the information loss paradox. Evolution from an early time Cauchy surface to a final surface which includes a slice of the disconnected region can be unitary and consistent with conventional quantum mechanics. We discuss the issue of cluster decomposition, showing that any violations thereof are likely to be unobservably small. Topology change is similar to the black hole remnant scenario and only requires assumptions about the behavior of quantum gravity in Planckian regimes. It does not require non-locality or any modification of low-energy physics.

  8. Black hole geometrothermodynamics

    NASA Astrophysics Data System (ADS)

    Quevedo, Hernando

    2017-03-01

    We review the main aspects of geometrothermodynamics which is a geometric formalism to describe thermodynamic systems, taking into account the invariance of classical thermodynamics with respect to Legendre transformations. We focus on the particular case of black holes, and present a Riemannian metric which describes the corresponding space of equilibrium states. We show that this metric can be used to describe the stability properties and phase transition structure of black holes in different gravity theories.

  9. Orthotropic hole element

    NASA Technical Reports Server (NTRS)

    Markham, J. W.; Smith, C. V.

    1983-01-01

    A finite element was developed to adequately represent the state of stress in the region around a circular hole in orthotropic material experiencing reasonably general loading. This has been achieved through a complementary virtual work formulation of the stiffness and stress matrices for a square element with a center circular hole. The element has been incorporated into COSMIC/NASTRAN as a dummy element. Sample problems have been solved and these results are presented.

  10. Black holes and beyond

    SciTech Connect

    Mathur, Samir D.

    2012-11-15

    The black hole information paradox forces us into a strange situation: we must find a way to break the semiclassical approximation in a domain where no quantum gravity effects would normally be expected. Traditional quantizations of gravity do not exhibit any such breakdown, and this forces us into a difficult corner: either we must give up quantum mechanics or we must accept the existence of troublesome 'remnants'. In string theory, however, the fundamental quanta are extended objects, and it turns out that the bound states of such objects acquire a size that grows with the number of quanta in the bound state. The interior of the black hole gets completely altered to a 'fuzzball' structure, and information is able to escape in radiation from the hole. The semiclassical approximation can break at macroscopic scales due to the large entropy of the hole: the measure in the path integral competes with the classical action, instead of giving a subleading correction. Putting this picture of black hole microstates together with ideas about entangled states leads to a natural set of conjectures on many long-standing questions in gravity: the significance of Rindler and de Sitter entropies, the notion of black hole complementarity, and the fate of an observer falling into a black hole. - Highlights: Black-Right-Pointing-Pointer The information paradox is a serious problem. Black-Right-Pointing-Pointer To solve it we need to find 'hair' on black holes. Black-Right-Pointing-Pointer In string theory we find 'hair' by the fuzzball construction. Black-Right-Pointing-Pointer Fuzzballs help to resolve many other issues in gravity.

  11. Life Inside Black Holes

    NASA Astrophysics Data System (ADS)

    Dokuchaev, Vyacheslav

    2013-11-01

    It is considered the test planet and photon orbits of the third kind inside the black hole (BH), which are stable, periodic and neither come out the BH nor terminate at the central singularity. Interiors of the supermassive BHs may be inhabited by advanced civilizations living on the planets with the third kind orbits. In principle, one can get information from the interiors of BHs by observing their white hole counterparts.

  12. Holes in Heisenberg antiferromagnets

    NASA Astrophysics Data System (ADS)

    Chen, Yang

    1990-05-01

    In this Brief Report we show that a recent model proposed by Shankar [Phys. Rev. Lett. 63, 203 (1989)], describing the motion of holes in quantum antiferromagnets is equivalent to the Schwinger model [Phys. Rev. 128, 2425 (1962)] in 1+1 dimensions. Some exact results are deduced. In addition to the superconducting long-range order found by Shankar, it is shown that there is a 2pF hole density wave existing with the superconducting pairing instability.

  13. Wavelengths, energy levels and hyperfine structure of Mn II and Sc II.

    NASA Astrophysics Data System (ADS)

    Nave, Gillian; Pickering, Juliet C.; Townley-Smith, Keeley I. M.; Hala, .

    2015-08-01

    For many decades, the Atomic Spectroscopy Groups at the National Institute of Standards and Technology (NIST) and Imperial College London (ICL) have measured atomic data of astronomical interest. Our spectrometers include Fourier transform (FT) spectrometers at NIST and ICL covering the region 1350 Å to 5.5 μm and a 10.7-m grating spectrometer at NIST covering wavelengths from 300 - 5000 Å. Sources for these spectra include high-current continuous and pulsed hollow cathode (HCL) lamps, Penning discharges, and sliding spark discharges. Recent work has focused on the measurement and analysis of wavelengths, energy levels, and hyperfine structure (HFS) constants for iron-group elements. The analysis of FT spectra of Cr I, Mn I, and Mn II is being led by ICL and is described in a companion poster [1]. Current work being led by NIST includes the analysis of HFS in Mn II, analysis of Mn II in the vacuum ultraviolet, and a comprehensive analysis of Sc II.Comprehensive HFS constants for Mn II are needed for the interpretation of stellar spectra and incorrect abundances may be obtained when HFS is omitted. Holt et al. [2] have measured HFS constants for 59 levels of Mn II using laser spectroscopy. We used FT spectra of Mn/Ni and Mn/Cu HCLs covering wavelength ranges from 1350 Å to 5.4 μm to confirm 26 of the A constants of Holt et al. and obtain values for roughly 40 additional levels. We aim to obtain HFS constants for the majority of lines showing significant HFS that are observed in chemically-peculiar stars.Spectra of Sc HCLs have been recorded from 1800 - 6700 Å using a vacuum ultraviolet FT spectrometer at NIST. Additional measurements to cover wavelengths above 6700 Å and below 1800 Å are in progress. The spectra are being analyzed by NIST and Alighar Muslim University, India in order to derive improved wavelengths, energy levels, and hyperfine structure parameters.This work was partially supported by NASA, the STFC and PPARC (UK), the Royal Society of the UK

  14. Three-dimensional Chern-Simons black holes

    SciTech Connect

    Moussa, Karim Ait; Clement, Gerard; Leygnac, Cedric; Guennoune, Hakim

    2008-09-15

    We construct black hole solutions to three-dimensional Einstein-Maxwell theory with both gravitational and electromagnetic Chern-Simons terms. These intrinsically rotating solutions are geodesically complete, and causally regular within a certain parameter range. Their mass, angular momentum and entropy are found to satisfy the first law of black hole thermodynamics. These Chern-Simons black holes admit a four-parameter local isometry algebra, which generically is sl(2,R)xR, and may be generated from the corresponding vacua by local coordinate transformations.

  15. Searching for Black Holes

    NASA Technical Reports Server (NTRS)

    Garcia, M.

    1998-01-01

    Our UV/VIS work concentrates on black hole X-ray nova. These objects consist of two stars in close orbit, one of which we believe is a black hole - our goal is to SHOW that one is a black hole. In order to reach this goal we carry out observations in the Optical, UV, IR and X-ray bands, and compare the observations to theoretical models. In the past year, our UV/VIS grant has provided partial support (mainly travel funds and page charges) for work we have done on X-ray nova containing black holes and neutron stars. We have been very successful in obtaining telescope time to support our project - we have completed approximately a dozen separate observing runs averaging 3 days each, using the MMT (5M), Lick 3M, KPNO 2.1M, CTIO 4M, CTIO 1.5M, and the SAO/WO 1.2M telescopes. These observations have allowed the identification of one new black hole (Nova Oph 1977), and allowed the mass of another to be measured (GS2000+25). Perhaps our most exciting new result is the evidence we have gathered for the existence of 'event horizons' in black hole X-ray nova.

  16. Charged Galileon black holes

    SciTech Connect

    Babichev, Eugeny; Charmousis, Christos; Hassaine, Mokhtar E-mail: christos.charmousis@th.u-psud.fr

    2015-05-01

    We consider an Abelian gauge field coupled to a particular truncation of Horndeski theory. The Galileon field has translation symmetry and couples non minimally both to the metric and the gauge field. When the gauge-scalar coupling is zero the gauge field reduces to a standard Maxwell field. By taking into account the symmetries of the action, we construct charged black hole solutions. Allowing the scalar field to softly break symmetries of spacetime we construct black holes where the scalar field is regular on the black hole event horizon. Some of these solutions can be interpreted as the equivalent of Reissner-Nordstrom black holes of scalar tensor theories with a non trivial scalar field. A self tuning black hole solution found previously is extended to the presence of dyonic charge without affecting whatsoever the self tuning of a large positive cosmological constant. Finally, for a general shift invariant scalar tensor theory we demonstrate that the scalar field Ansatz and method we employ are mathematically compatible with the field equations. This opens up the possibility for novel searches of hairy black holes in a far more general setting of Horndeski theory.

  17. 230 s room-temperature storage time and 1.14 eV hole localization energy in In{sub 0.5}Ga{sub 0.5}As quantum dots on a GaAs interlayer in GaP with an AlP barrier

    SciTech Connect

    Bonato, Leo Sala, Elisa M.; Stracke, Gernot; Nowozin, Tobias; Strittmatter, André; Ajour, Mohammed Nasser; Daqrouq, Khaled; Bimberg, Dieter

    2015-01-26

    A GaP n{sup +}p-diode containing In{sub 0.5}Ga{sub 0.5}As quantum dots (QDs) and an AlP barrier is characterized electrically, together with two reference samples: a simple n{sup +}p-diode and an n{sup +}p-diode with AlP barrier. Localization energy, capture cross-section, and storage time for holes in the QDs are determined using deep-level transient spectroscopy. The localization energy is 1.14(±0.04) eV, yielding a storage time at room temperature of 230(±60) s, which marks an improvement of 2 orders of magnitude compared to the former record value in QDs. Alternative material systems are proposed for still higher localization energies and longer storage times.

  18. Extensive and accurate energy levels and transition rates for Al-like Zn XVIII

    NASA Astrophysics Data System (ADS)

    Si, R.; Zhang, C. Y.; Liu, Y. W.; Chen, Z. B.; Guo, X. L.; Li, S.; Yan, J.; Chen, C. Y.; Wang, K.

    2017-03-01

    Energy levels and transition rates for electric-dipole (E1), electric-quadrupole (E2), magnetic-dipole (M1), and magnetic-quadrupole (M2) transitions of the lowest 393 levels arising from the 3l3 (0 ≤ l ⩽ 2), 3s2 4 l (0 ≤ l ⩽ 3), 3 s 3 p 4 l (0 ≤ l ⩽ 3), 3p2 4 l (0 ≤ l ⩽ 2), 3 s 3 d 4 l (0 ≤ l ⩽ 1), and 3s2 5 l (0 ≤ l ⩽ 4) configurations in Al-like Zn are calculated through the multi-configuration Dirac-Hartree-Fock (MCDHF) method and second-order many-body perturbation theory (MBPT). In the MCDHF calculation, valence-valence and core-valence correlations with the 2 p and 2 s electrons are taken into account. The effect of Breit interaction and quantum electrodynamics corrections on excitation level energies and level lifetimes are assessed though the MCDHF and MBPT calculations. The two sets of level energies are in excellent agreement of better than 0.1%, while the level lifetimes mostly agree to within 2%. Comparisons are also made with experimental measurements and other theoretical results to assess the accuracy of our calculations.

  19. Dual-Energy Computed Tomography Virtual Monoenergetic Imaging of Lung Cancer: Assessment of Optimal Energy Levels.

    PubMed

    Kaup, Moritz; Scholtz, Jan-Erik; Engler, Alexander; Albrecht, Moritz H; Bauer, Ralf W; Kerl, J Matthias; Beeres, Martin; Lehnert, Thomas; Vogl, Thomas J; Wichmann, Julian L

    2016-01-01

    The aim of the study was to evaluate objective and subjective image qualities of virtual monoenergetic imaging (VMI) in dual-source dual-energy computed tomography (DECT) and optimal kiloelectron-volt (keV) levels for lung cancer. Fifty-nine lung cancer patients underwent chest DECT. Images were reconstructed as VMI series at energy levels of 40, 60, 80, and 100 keV and standard linear blending (M_0.3) for comparison. Objective and subjective image qualities were assessed. Lesion contrast peaked in 40-keV VMI reconstructions (2.5 ± 2.9) and 60 keV (1.9 ± 3.0), which was superior to M_0.3 (0.5 ± 2.7) for both comparisons (P < 0.001). Compared with M_0.3, subjective ratings were highest for 60-keV VMI series regarding general image quality (4.48 vs 4.52; P = 0.74) and increased for lesion demarcation (4.07 vs 4.84; P < 0.001), superior to all other VMI series (P < 0.001). Image sharpness was similar between both series. Image noise was rated superior in the 80-keV and M_0.3 series, followed by 60 keV. Virtual monoenergetic imaging reconstructions at 60-keV provided the best combination of subjective and objective image qualities in DECT of lung cancer.

  20. Energy levels and radiative rates for transitions in Fe V, Co VI and Ni VII

    NASA Astrophysics Data System (ADS)

    Aggarwal, K. M.; Bogdanovich, P.; Keenan, F. P.; Kisielius, R.

    2017-03-01

    Energy levels, Landé g-factors and radiative lifetimes are reported for the lowest 182 levels of the 3d4, 3d34s and 3d34p configurations of Fe V, Co VI and Ni VII. Additionally, radiative rates (A-values) have been calculated for the E1, E2 and M1 transitions among these levels. The calculations have been performed in a quasi-relativistic approach (QR) with a very large configuration interaction (CI) wavefunction expansion, which has been found to be necessary for these ions. Our calculated energies for all ions are in excellent agreement with the available measurements, for most levels. Discrepancies among various calculations for the radiative rates of E1 transitions in Fe V are up to a factor of two for stronger transitions (f ≥ 0.1), and larger (over an order of magnitude) for weaker ones. The reasons for these discrepancies have been discussed and mainly are due to the differing amount of CI and methodologies adopted. However, there are no appreciable discrepancies in similar data for M1 and E2 transitions, or the g-factors for the levels of Fe V, the only ion for which comparisons are feasible.

  1. Intranasal insulin suppresses food intake via enhancement of brain energy levels in humans.

    PubMed

    Jauch-Chara, Kamila; Friedrich, Alexia; Rezmer, Magdalena; Melchert, Uwe H; G Scholand-Engler, Harald; Hallschmid, Manfred; Oltmanns, Kerstin M

    2012-09-01

    Cerebral insulin exerts anorexic effects in humans and animals. The underlying mechanisms, however, are not clear. Because insulin physiologically facilitates glucose uptake by most tissues of the body and thereby fosters intracellular energy supply, we hypothesized that intranasal insulin reduces food consumption via enhancement of the neuroenergetic level. In a double-blind, placebo-controlled, within-subject comparison, 15 healthy men (BMI 22.2 ± 0.37 kg/m(2)) aged 22-28 years were intranasally administered insulin (40 IU) or placebo after an overnight fast. Cerebral energy metabolism was assessed by (31)P magnetic resonance spectroscopy. At 100 min after spray administration, participants consumed ad libitum from a test buffet. Our data show that intranasal insulin increases brain energy (i.e., adenosine triphosphate and phosphocreatine levels). Cerebral energy content correlates inversely with subsequent calorie intake in the control condition. Moreover, the neuroenergetic rise upon insulin administration correlates with the consecutive reduction in free-choice calorie consumption. Brain energy levels may therefore constitute a predictive value for food intake. Given that the brain synchronizes food intake behavior in dependence of its current energetic status, a future challenge in obesity treatment may be to therapeutically influence cerebral energy homeostasis. Intranasal insulin, after optimizing its application schema, seems a promising option in this regard.

  2. A comprehensive and unified picture of energy level alignment at interfaces with organic semiconductors

    NASA Astrophysics Data System (ADS)

    Akaike, Kouki; Oehzelt, Martin; Heimel, Georg; Koch, Norbert

    2016-09-01

    Controlling the energy level alignment at the ubiquitous interfaces in modern organic light emitting diodes, i.e., organic/electrode and organic/organic, is mandatory for achieving highest performance. While for some interfaces the understanding has matured over the past years - often with the help of photoelectron spectroscopy investigations, a lack of material-overarching and general models seems to persist. In this context, it is interesting to note that photoelectron experiments reported by different groups often returned a different level alignment for a given interface, which certainly should be unsettling for device engineers. It turns out that Fermi-level pinning and its consequences for charge density re-distribution across a device stack is an overarching mechanism that should always be considered. For intrinsic organic heterojunctions of materials with moderate acceptor/donor character the electrostatic potential across the interface changes only marginally - if at all. This situation, however, can be significantly altered when at least one of the two semiconductors is Fermi-level pinned by the "effective work function" of the other one, which is established by the contact to the electrode. Consequently, device engineering has to fully take into account the effect of adding the electrodes to a device stack, otherwise correlations between assumed electronic structure and device performance remain uncertain.

  3. Energy level shifts at the silica/Ru(0001) heterojunction driven by surface and interface dipoles

    DOE PAGES

    Wang, Mengen; Zhong, Jian -Qiang; Kestell, John; ...

    2016-09-12

    Charge redistribution at heterogeneous interfaces is a fundamental aspect of surface chemistry. Manipulating the amount of charges and the magnitude of dipole moments at the interface in a controlled way has attracted tremendous attention for its potential to modify the activity of heterogeneous catalysts in catalyst design. Two-dimensional ultrathin silica films with well-defined atomic structures have been recently synthesized and proposed as model systems for heterogeneous catalysts studies. R. Wlodarczyk et al. (Phys. Rev. B, 85, 085403 (2012)) have demonstrated that the electronic structure of silica/Ru(0001) can be reversibly tuned by changing the amount of interfacial chemisorbed oxygen. Here wemore » carried out systematic investigations to understand the underlying mechanism through which the electronic structure at the silica/Ru(0001) interface can be tuned. As corroborated by both in situ X-ray photoelectron spectroscopy and density functional theory calculations, the observed interface energy level alignments strongly depend on the surface and interfacial charge transfer induced dipoles at the silica/Ru(0001) heterojunction. These observations may help to understand variations in catalytic performance of the model system from the viewpoint of the electronic properties at the confined space between the silica bilayer and the Ru(0001) surface. As a result, the same behavior is observed for the aluminosilicate bilayer, which has been previously proposed as a model system for zeolites.« less

  4. Energy level shifts at the silica/Ru(0001) heterojunction driven by surface and interface dipoles

    SciTech Connect

    Wang, Mengen; Zhong, Jian -Qiang; Kestell, John; Waluyo, Iradwikanari; Stacchiola, Dario J.; Boscoboinik, J. Anibal; Lu, Deyu

    2016-09-12

    Charge redistribution at heterogeneous interfaces is a fundamental aspect of surface chemistry. Manipulating the amount of charges and the magnitude of dipole moments at the interface in a controlled way has attracted tremendous attention for its potential to modify the activity of heterogeneous catalysts in catalyst design. Two-dimensional ultrathin silica films with well-defined atomic structures have been recently synthesized and proposed as model systems for heterogeneous catalysts studies. R. Wlodarczyk et al. (Phys. Rev. B, 85, 085403 (2012)) have demonstrated that the electronic structure of silica/Ru(0001) can be reversibly tuned by changing the amount of interfacial chemisorbed oxygen. Here we carried out systematic investigations to understand the underlying mechanism through which the electronic structure at the silica/Ru(0001) interface can be tuned. As corroborated by both in situ X-ray photoelectron spectroscopy and density functional theory calculations, the observed interface energy level alignments strongly depend on the surface and interfacial charge transfer induced dipoles at the silica/Ru(0001) heterojunction. These observations may help to understand variations in catalytic performance of the model system from the viewpoint of the electronic properties at the confined space between the silica bilayer and the Ru(0001) surface. As a result, the same behavior is observed for the aluminosilicate bilayer, which has been previously proposed as a model system for zeolites.

  5. Formation energies and energy levels of deep defects in narrow gap semiconductors

    SciTech Connect

    Patterson, J.D.; Li, W.

    1996-12-31

    The authors use a Green`s function technique for deep defect energy level calculations in mercury cadmium telluride (MCT), mercury zinc telluride (MZT), and mercury zinc selenide (MZS). The formation energy is calculated from the difference between the total binding energy with an impurity cluster and with a perfect cluster. These alloys are among those that have been experimentally grown in microgravity aboard the Space Shuttle. To evaluate the quality of these crystals, it is necessary to characterize them, and one important aspect of this characterization is the study of deep defects which can limit carrier lifetime. Relaxation effects are calculated with molecular dynamics. The resulting energy shift can be greater for the interstitial case than the substitutional one. Relaxation in vacancies is also considered. The charged state energy shift (as computed by a modified Haldane-Anderson model) can be twice that caused by relaxation. However, different charged states for vacancies had little effect on the formation energy. For all cases the authors considered the concentration of Cd or Zn in the range appropriate for a band gap of 0.1 eV. The emphasis of their calculation is on chemical trends. Only limited comparison to experiment and other calculations is possible, but what there is supports the statement that their results are at least of the right order of magnitude.

  6. Energy levels of an anisotropic three-dimensional polaron in a magnetic field

    NASA Astrophysics Data System (ADS)

    Brancus, D. E.; Stan, G.

    2001-06-01

    In the context of the improved Wigner-Brillouin theory, the energy levels are found of a Fröhlich polaron in a uniaxial anisotropic polar semiconductor with complex structure, placed in a magnetic field directed either along the optical axis or orthogonal to it. All sources of anisotropy that are contained in the shape of constant-energy surfaces of the bare electron, the electron-optical-phonon interaction, and the frequency spectrum of the extraordinary phonon modes are considered. Analytical results for the electron-phonon interaction correction to the Landau levels below the optical-phonon continuum are given and, numerical results for the magnetic-field dependence of the cyclotron resonance frequency at low temperature are presented for the particular case of the layered semiconductors InSe and GaSe. Although the interaction between the bare electron and quasitransverse optical-phonon modes is weak, these modes play an important role in the pinning of Landau levels. The results given by Das Sarma for a two-dimensional isotropic magnetopolaron are generalized to the anisotropic uniaxial case by taking formally m∥-->∞ in the expression of the perturbed Landau levels found when the magnetic field is directed along the optical axis, m∥ being the component of the bare-electron effective-mass tensor along the optical axis.

  7. Energy level shifts at the silica/Ru(0001) heterojunction driven by surface and interface dipoles

    SciTech Connect

    Wang, Mengen; Zhong, Jian -Qiang; Kestell, John; Waluyo, Iradwikanari; Stacchiola, Dario J.; Boscoboinik, J. Anibal; Lu, Deyu

    2016-09-12

    Charge redistribution at heterogeneous interfaces is a fundamental aspect of surface chemistry. Manipulating the amount of charges and the magnitude of dipole moments at the interface in a controlled way has attracted tremendous attention for its potential to modify the activity of heterogeneous catalysts in catalyst design. Two-dimensional ultrathin silica films with well-defined atomic structures have been recently synthesized and proposed as model systems for heterogeneous catalysts studies. R. Wlodarczyk et al. (Phys. Rev. B, 85, 085403 (2012)) have demonstrated that the electronic structure of silica/Ru(0001) can be reversibly tuned by changing the amount of interfacial chemisorbed oxygen. Here we carried out systematic investigations to understand the underlying mechanism through which the electronic structure at the silica/Ru(0001) interface can be tuned. As corroborated by both in situ X-ray photoelectron spectroscopy and density functional theory calculations, the observed interface energy level alignments strongly depend on the surface and interfacial charge transfer induced dipoles at the silica/Ru(0001) heterojunction. These observations may help to understand variations in catalytic performance of the model system from the viewpoint of the electronic properties at the confined space between the silica bilayer and the Ru(0001) surface. As a result, the same behavior is observed for the aluminosilicate bilayer, which has been previously proposed as a model system for zeolites.

  8. Hysteresis in Carbon Nanotube Transistors: Measurement and Analysis of Trap Density, Energy Level, and Spatial Distribution.

    PubMed

    Park, Rebecca Sejung; Shulaker, Max Marcel; Hills, Gage; Suriyasena Liyanage, Luckshitha; Lee, Seunghyun; Tang, Alvin; Mitra, Subhasish; Wong, H-S Philip

    2016-04-26

    We present a measurement technique, which we call the Pulsed Time-Domain Measurement, for characterizing hysteresis in carbon nanotube field-effect transistors, and demonstrate its applicability for a broad range of 1D and 2D nanomaterials beyond carbon nanotubes. The Pulsed Time-Domain Measurement enables the quantification (density, energy level, and spatial distribution) of charged traps responsible for hysteresis. A physics-based model of the charge trapping process for a carbon nanotube field-effect transistor is presented and experimentally validated using the Pulsed Time-Domain Measurement. Leveraging this model, we discover a source of traps (surface traps) unique to devices with low-dimensional channels such as carbon nanotubes and nanowires (beyond interface traps which exist in today's silicon field-effect transistors). The different charge trapping mechanisms for interface traps and surface traps are studied based on their temperature dependencies. Through these advances, we are able to quantify the interface trap density for carbon nanotube field-effect transistors (∼3 × 10(13) cm(-2) eV(-1) near midgap), and compare this against a range of previously studied dielectric/semiconductor interfaces.

  9. A general rigorous quantum dynamics algorithm to calculate vibrational energy levels of pentaatomic molecules

    NASA Astrophysics Data System (ADS)

    Yu, Hua-Gen

    2009-08-01

    An exact variational algorithm is presented for calculating vibrational energy levels of pentaatomic molecules without any dynamical approximation. The quantum mechanical Hamiltonian of the system is expressed in a set of orthogonal coordinates defined by four scattering vectors in the body-fixed frame. The eigenvalue problem is solved using a two-layer Lanczos iterative diagonalization method in a mixed grid/basis set. A direct product potential-optimized discrete variable representation (PO-DVR) basis is used for the radial coordinates while a non-direct product finite basis representation (FBR) is employed for the angular variables. The two-layer Lanczos method requires only the actions of the Hamiltonian operator on the Lanczos vectors, where the potential-vector products are accomplished via a pseudo-spectral transform technique. By using Jacobi, Radau and orthogonal satellite vectors, we have proposed 21 types of orthogonal coordinate systems so that the algorithm is capable of describing most five-atom systems with small and/or large amplitude vibrational motions. Finally, an universal program ( PetroVib) has been developed. Its applications to the molecules CH and HO2-, and the van der Waals cluster HeCl are also discussed.

  10. Energy levels distribution in supersaturated silicon with titanium for photovoltaic applications

    SciTech Connect

    Pérez, E. Castán, H.; García, H.; Dueñas, S.; Bailón, L.; Montero, D.; García-Hernansanz, R.; García-Hemme, E.; González-Díaz, G.; Olea, J.

    2015-01-12

    In the attempt to form an intermediate band in the bandgap of silicon substrates to give it the capability to absorb infrared radiation, we studied the deep levels in supersaturated silicon with titanium. The technique used to characterize the energy levels was the thermal admittance spectroscopy. Our experimental results showed that in samples with titanium concentration just under Mott limit there was a relationship among the activation energy value and the capture cross section value. This relationship obeys to the well known Meyer-Neldel rule, which typically appears in processes involving multiple excitations, like carrier capture/emission in deep levels, and it is generally observed in disordered systems. The obtained characteristic Meyer-Neldel parameters were Tmn = 176 K and kTmn = 15 meV. The energy value could be associated to the typical energy of the phonons in the substrate. The almost perfect adjust of all experimental data to the same straight line provides further evidence of the validity of the Meyer Neldel rule, and may contribute to obtain a deeper insight on the ultimate meaning of this phenomenon.

  11. Energy levels of the Ce activator relative to the YAP(Ce) scintillator host.

    PubMed

    Yu, S-W; Carpenter, M H; Ponce, F; Friedrich, S; Lee, J-S; Olalde-Velasco, P; Yang, W L; Åberg, D

    2015-05-13

    The electronic structure of the cerium-activated yttrium aluminum perovskite [YAP(Ce)] scintillator has been studied by core level x-ray spectroscopy and first-principles calculations. X-ray absorption and emission spectra at the oxygen K-edge of YAP(Ce) and CeO2 have been measured and compared with the calculated partial density of states. With the known band gap of CeO2, the measured oxygen K-edge absorption and emission spectra are used to construct a fixed relation between the valence and conduction bands of YAP and CeO2. This allows us to determine the fundamental band gap of YAP to be 8.1 ± 0.3 eV. A comparison between the cerium M4,5-edges x-ray absorption spectra of the YAP(Ce) and Ce model compounds (CeO2, CeF3, and Ce foils) then shows that the Ce activator is in the desired Ce(3+), with a small fraction of Ce(4+) due to oxidization at the surface. Finally, we determine that the ground state 4f(1) energy level of the Ce(3+) activator lies 1.8 ± 0.5 eV above the top of the valence band of the host YAP.

  12. First-principles calculation of electronic energy level alignment at electrochemical interfaces

    NASA Astrophysics Data System (ADS)

    Azar, Yavar T.; Payami, Mahmoud

    2017-08-01

    Energy level alignment at solid-solvent interfaces is an important step in determining the properties of electrochemical systems. The positions of conduction and valence band edges of a semiconductor are affected by its environment. In this study, using first-principles DFT calculation, we have determined the level shifts of the semiconductors TiO2 and ZnO at the interfaces with MeCN and DMF solvent molecules. The level shifts of semiconductor are obtained using the potential difference between the clean and exposed surfaces of asymmetric slabs. In this work, neglecting the effects of present ions in the electrolyte solution, we have shown that the solvent molecules give rise to an up-shift for the levels, and the amount of this shift varies with coverage. It is also shown that the shapes of density of states do not change sensibly near the gap. Molecular dynamics simulations of the interface have shown that at room temperatures the semiconductor surface is not fully covered by the solvent molecules, and one must use intermediate values in an static calculations.

  13. The excitation of electronic transverse energy levels in an intense magnetic field

    NASA Technical Reports Server (NTRS)

    Bussard, R. W.

    1978-01-01

    Observations of the X-ray pulsar Hercules X-1 show a line emission feature at about 60 keV, which has been interpreted as the fundamental electron cyclotron line in a magnetic field of around six trillion gauss. In this interpretation, the line radiation results from transitions between transverse energy levels, which are quantized by the field. The expected line luminosity from the excitation of these levels by protons which are falling into the polar cap of a neutron star are calculated. They are assumed to attain kinetic energies up to around 200 MeV, the gravitational potential energy at the surface. The cross sections for high energy Coulomb encounters between small pitch angle protons and electrons in a strong field are measured and used to calculate the energy loss rate of the infalling protons. This rate, together with the rate of elastic nuclear proton collisions, is then used to calculate the number of line photons an infalling proton can be expected to produce, directly or indirectly. The results are applied to Hercules X-1.

  14. The excitation of electronic transverse energy levels in an intense magnetic field

    NASA Technical Reports Server (NTRS)

    Bussard, R. W.

    1978-01-01

    Observations of the X-ray pulsar Hercules X-1 show a line emission feature at about 60 keV, which has been interpreted as the fundamental electron cyclotron line in a magnetic field of around six trillion gauss. In this interpretation, the line radiation results from transitions between transverse energy levels, which are quantized by the field. The expected line luminosity from the excitation of these levels by protons which are falling into the polar cap of a neutron star are calculated. They are assumed to attain kinetic energies up to around 200 MeV, the gravitational potential energy at the surface. The cross sections for high energy Coulomb encounters between small pitch angle protons and electrons in a strong field are measured and used to calculate the energy loss rate of the infalling protons. This rate, together with the rate of elastic nuclear proton collisions, is then used to calculate the number of line photons an infalling proton can be expected to produce, directly or indirectly. The results are applied to Hercules X-1.

  15. Energy levels, transition probabilities, and electron impact excitations for La XXX

    SciTech Connect

    Zhong, J.Y. . E-mail: jyzhong@aphy.iphy.ac.cn; Zhao, G.; Zhang, J.

    2006-09-15

    energy levels, spontaneous radiative decay rates, and electron impact collision strengths are calculated for La XXX. The data refer to 107 fine-structure levels belonging to the configurations (1s{sup 2}2s{sup 2}2p{sup 6})3s{sup 2}3p{sup 6}3d{sup 10}, 3s{sup 2}3p{sup 6}3d{sup 9}4l, 3s{sup 2}3p{sup 5}3d{sup 10}4l, and 3s3p{sup 6}3d{sup 10}4l (l = s, p, d, f). The collision strengths are calculated with a 20-collision-energy grid in terms of the energy of the scattered electron between 10 and 10,000 eV by using the distorted-wave approximation. Effective collision strengths are obtained at seven electron temperatures: T {sub e} (eV) = 10, 100, 300, 500, 800, 1000, and 1500 by integrating the collision strengths over a Maxwellian electron distribution. Coupled with these atomic data, a hydrodynamic code MED103 can be used to simulate the Ni-like La X-ray laser at 8.8 nm.

  16. Dynamical image-charge effect in molecular tunnel junctions: Beyond energy level alignment

    NASA Astrophysics Data System (ADS)

    Jin, Chengjun; Thygesen, Kristian S.

    2014-01-01

    When an electron tunnels between two metal contacts it temporarily induces an image charge (IC) in the electrodes which acts back on the tunneling electron. It is usually assumed that the IC forms instantaneously such that a static model for the image potential applies. Here we investigate how the finite IC formation time affects charge transport through a molecule suspended between two electrodes. For a single-level model, an analytical treatment shows that the conductance is suppressed by a factor Z2, where Z is the quasiparticle renormalization factor, compared to the static IC approximation. We show that Z can be expressed either in terms of the plasma frequency of the electrode or as the overlap between electrode wave functions corresponding to an empty and filled level, respectively. First-principles GW calculations for benzene-diamine connected to gold electrodes show that the dynamical corrections can reduce the conductance by more than a factor of two when compared to static GW or density functional theory where the molecular energy levels have been shifted to match the exact quasiparticle levels.

  17. Effect of hole injection layer/hole transport layer polymer and device structure on the properties of white OLED.

    PubMed

    Cho, Ho Young; Park, Eun Jung; Kim, Jin-Hoo; Park, Lee Soon

    2008-10-01

    Copolymers containing carbazole and aromatic amine unit were synthesized by using Pd-catalyzed polycondensation reaction. The polymers were characterized in terms of their molecular weight and thermal stability and their UV and PL properties in solution and film state. The band gap energy of the polymers was also determined by the UV absorption and HOMO energy level data. The polymers had high HOMO energy level of 5.19-5.25 eV and work function close to that of ITO. The polymers were thus tested as hole injection/transport layer in the white organic light emitting diodes (OLED) by using 4,4'-bis(2,2-diphenyl-ethen-1-yl)diphenyl (DPVBi) as blue emitting material and 5,6,11,12-tetraphenylnaphthacene (Rubrene) as orange emitting dopant. The synthesized polymer, poly bis[6-bromo-N-(2-ethylhexyl)-carbazole-3-yl] was found to be useful as hole injection layer/hole transport layer (HIL/HTL) multifunctional material with high luminance efficiency and stable white color coordinate in the wide range of applied voltage.

  18. Equipment for drilling miniature holes

    SciTech Connect

    Gillespie, L K

    1981-04-01

    Miniature holes are produced on 16 different types of mechanical drilling equipment. Each equipment type has significant advantages for a specific type of part. The basic capabilities vary greatly between equipment types. Some produce very precise holes and others produce very high volumes of commercial tolerance holes. At the present time machines are available for mechanicaly drilling up to 100,000 miniature holes per hour. Lasers currently are drilling as many as 15,000,000 ultra-miniature holes per hour.

  19. Resonating Behaviour of Nanomachined Holed Microcantilevers

    PubMed Central

    Canavese, Giancarlo; Ricci, Alessandro; Gazzadi, Gian Carlo; Ferrante, Ivan; Mura, Andrea; Marasso, Simone Luigi; Ricciardi, Carlo

    2015-01-01

    The nanofabrication of a nanomachined holed structure localized on the free end of a microcantilever is here presented, as a new tool to design micro-resonators with enhanced mass sensitivity. The proposed method allows both for the reduction of the sensor oscillating mass and the increment of the resonance frequency, without decreasing the active surface of the device. A theoretical analysis based on the Rayleigh method was developed to predict resonance frequency, effective mass, and effective stiffness of nanomachined holed microresonators. Analytical results were checked by Finite Element simulations, confirming an increase of the theoretical mass sensitivity up to 250%, without altering other figures of merit. The nanomachined holed resonators were vibrationally characterized, and their Q-factor resulted comparable with solid microcantilevers with same planar dimensions. PMID:26643936

  20. Rotating black hole solutions with quintessential energy

    NASA Astrophysics Data System (ADS)

    Toshmatov, Bobir; Stuchlík, Zdeněk; Ahmedov, Bobomurat

    2017-02-01

    Quintessential dark energy with density ρ and pressure p is governed by an equation of state of the form p=ωqρ with the quintessential parameter ω_qin (-1;-1/3). We derive the geometry of quintessential rotating black holes, generalizing thus the Kerr spacetimes. Then we study the quintessential rotating black hole spacetimes with the special value of ωq = -2/3 when the resulting formulae are simple and easily tractable. We show that such special spacetimes can exist for the dimensionless quintessential parameter c < 1/6 and determine the critical rotational parameter a0 separating the black hole and naked singularity spacetime in dependence on the quintessential parameter c . For the spacetimes with ωq = -2/3 we give all the black hole characteristics and demonstrate local thermodynamical stability. We present the integrated geodesic equations in separated form and study in details the circular geodetical orbits. We give radii and parameters of the photon circular orbits, marginally bound and marginally stable orbits. We stress that the outer boundary on the existence of circular geodesics, given by the so-called static radius where the gravitational attraction of the black hole is balanced by the cosmic repulsion, does not depend on the dimensionless spin of the rotating black hole, similarly to the case of the Kerr-de Sitter spacetimes with vacuum dark energy. We also give restrictions on the dimensionless parameters c and a of the spacetimes allowing for existence of stable circular geodesics. Finally, using numerical methods we generalize the discussion of the circular geodesics to the black holes with arbitrary quintessential parameter ωq.

  1. Interface simulation of strained and non-abrupt III-V quantum wells. Part 2: energy level calculation versus experimental data

    NASA Astrophysics Data System (ADS)

    Lamberti, C.

    1996-01-01

    This work describes a program able to compute the allowed energy levels and the respective wavefunctions of strained {In1 - xGaxAsyP1 - y}/{In1 - zGazAswP1 - w} for electrons, light and heavy holes in single- and multi-quantum wells and superlattices. Ground and excited states can be detected. The problem of non-abrupt interfaces has been taken into account. The computation on intentionally strained QW structures can be performed. The simulation of coupled wells may also be done, allowing theoretical prediction on the 4 K photoluminescence emission of superlattices. The adopted mathematical approach has been treated in details. The results of the presented simulations performed on heterostructures grown by low-pressure metallorganic vapor phase epitaxy and by chemical beam epitaxy heterostructures are compared with 4 K Fourier transform photoluminescence and with room temperature IR absorption data. The data used as input by this program are previously computed by the program BANDSTRAIN (described in a previous paper). In this work also the simulation of high resolution X-ray diffraction patterns is briefly presented and compared with the experimental curves; it is shown how the combined simulations of PL and X-ray data is a powerful tool in the interfaces characterization. Finally, qualitative information is extracted from high-resolution transmission electron microscopy micrographs.

  2. Optimization of energy level for coronary angiography with dual-energy and dual-source computed tomography.

    PubMed

    Okayama, Satoshi; Seno, Ayako; Soeda, Tsunenari; Takami, Yasuhiro; Kawakami, Rika; Somekawa, Satoshi; Ishigami, Ken-Ichi; Takeda, Yukiji; Kawata, Hiroyuki; Horii, Manabu; Uemura, Shiro; Saito, Yoshihiko

    2012-04-01

    Dual-energy computed tomography (DE-CT) uses polyenergetic X-rays at 100- and 140-kVp tube energy, and generates 120-kVp composite images that are referred to as polyenergetic images (PEIs). Moreover, DE-CT can produce monoenergetic images (MEIs) at any effective energy level. We evaluated whether the image quality of coronary angiography is improved by optimizing the energy levels of DE-CT. We retrospectively evaluated data sets obtained from 24 consecutive patients using cardiac DE-CT at 100- and 140-kVp tube energy with a dual-source scanner. Signal-to-noise ratios (SNRs) were evaluated in the left ascending coronary artery in PEIs, and in MEIs reconstructed at 40, 50, 60, 70, 80, 90, 100, 130, 160 and 190 keV. Energy levels of 100, 120 and 140 kVp generated the highest SNRs in PEIs from 10, 12 and 2 patients, respectively, at 60, 70 and 80 keV in MEIs from 2, 10 and 10 patients, respectively, and at 90 and 100 keV in those from one patient each. Optimization of the energy level for each patient increased the SNR by 16.6% in PEIs (P < 0.0001) and by 18.2% in MEIs (P < 0.05), compared with 120-kVp composite images. The image quality of coronary angiography using DE-CT can be improved by optimizing the energy level for individual patients.

  3. The IUPAC Database of Rotational-Vibrational Energy Levels and Transitions of Water Isotopologues from Experiment and Theory

    NASA Astrophysics Data System (ADS)

    Császár, Attila G.; Furtenbacher, T.; Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R.; Campargue, Alain; Daumont, Ludovic; Gamache, Robert R.; Hodges, Joseph T.; Naumenko, Olga V.; Polyansky, Oleg L.; Rothman, Laurence S.; Vandaele, Ann Carine; Zobov, Nikolai F.

    2014-06-01

    The results of an IUPAC Task Group formed in 2004 on "A Database of Water Transitions from Experiment and Theory" (Project No. 2004-035-1-100) are presented. Energy levels and recommended labels involving exact and approximate quantum numbers for the main isotopologues of water in the gas phase, H216O, H218O, H217O, HD16O, HD18O, HD17O, D216O, D218O, and D217O, are determined from measured transition wavenumbers. The transition wavenumbers and energy levels are validated using the MARVEL (measured active rotational-vibrational energy levels) approach and first-principles nuclear motion computations. The extensive data, e.g., more than 200,000 transitions have been handled for H216O, including lines and levels that are required for analysis and synthesis of spectra, thermochemical applications, the construction of theoretical models, and the removal of spectral contamination by ubiquitous water lines. These datasets can also be used to assess where measurements are lacking for each isotopologue and to provide accurate frequencies for many yet-to-be measured transitions. The lack of high-quality frequency calibration standards in the near infrared is identified as an issue that has hindered the determination of high-accuracy energy levels at higher frequencies. The generation of spectra using the MARVEL energy levels combined with transition intensities computed using high accuracy ab initio dipole moment surfaces are discussed.

  4. Thermodynamics of novel charged dilatonic BTZ black holes

    NASA Astrophysics Data System (ADS)

    Dehghani, M.

    2017-10-01

    In this paper, the three-dimensional Einstein-Maxwell theory in the presence of a dilatonic scalar field has been studied. It has been shown that the dilatonic potential must be considered as the linear combination of two Liouville-type potentials. Two new classes of charged dilatonic BTZ black holes, as the exact solutions to the coupled scalar, vector and tensor field equations, have been obtained and their properties have been studied. The conserved charge and mass of the new black holes have been calculated, making use of the Gauss's law and Abbott-Deser proposal, respectively. Through comparison of the thermodynamical extensive quantities (i.e. temperature and entropy) obtained from both, the geometrical and the thermodynamical methods, the validity of the first law of black hole thermodynamics has been confirmed for both of the new black holes we just obtained. A black hole thermal stability or phase transition analysis has been performed, making use of the canonical ensemble method. Regarding the black hole heat capacity, it has been found that for either of the new black hole solutions there are some specific ranges in such a way that the black holes with the horizon radius in these ranges are locally stable. The points of type one and type two phase transitions have been determined. The black holes, with the horizon radius equal to the transition points are unstable. They undergo type one or type two phase transitions to be stabilized.

  5. Electron holes appear to trigger cancer-implicated mutations

    NASA Astrophysics Data System (ADS)

    Miller, John; Villagran, Martha

    Malignant tumors are caused by mutations, which also affect their subsequent growth and evolution. We use a novel approach, computational DNA hole spectroscopy [M.Y. Suarez-Villagran & J.H. Miller, Sci. Rep. 5, 13571 (2015)], to compute spectra of enhanced hole probability based on actual sequence data. A hole is a mobile site of positive charge created when an electron is removed, for example by radiation or contact with a mutagenic agent. Peaks in the hole spectrum depict sites where holes tend to localize and potentially trigger a base pair mismatch during replication. Our studies of reveal a correlation between hole spectrum peaks and spikes in human mutation frequencies. Importantly, we also find that hole peak positions that do not coincide with large variant frequencies often coincide with cancer-implicated mutations and/or (for coding DNA) encoded conserved amino acids. This enables combining hole spectra with variant data to identify critical base pairs and potential cancer `driver' mutations. Such integration of DNA hole and variance spectra could also prove invaluable for pinpointing critical regions, and sites of driver mutations, in the vast non-protein-coding genome. Supported by the State of Texas through the Texas Ctr. for Superconductivity.

  6. Energy levels, wavelengths, and transition rates of multipole transitions (E1, E2, M1, M2) in Au{sup 67+} and Au{sup 66+} ions

    SciTech Connect

    Hamasha, Safeia

    2013-11-15

    The fully relativistic configuration interaction method of the FAC code is used to calculate atomic data for multipole transitions in Mg-like Au (Au{sup 67+}) and Al-like Au (Au{sup 66+}) ions. Generated atomic data are important in the modeling of M-shell spectra for heavy Au ions and Au plasma diagnostics. Energy levels, oscillator strengths and transition rates are calculated for electric-dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) for transitions between excited and ground states 3l−nl{sup ′}, such that n=4,5,6,7. The local central potential is derived using the Dirac–Fock–Slater method. Correlation effects to all orders are considered by the configuration interaction expansion. All relativistic effects are included in the calculations. Calculated energy levels are compared against published values that were calculated using the multi-reference many body perturbation theory, which includes higher order QED effects. Favorable agreement was observed, with less than 0.15% difference.

  7. Spontaneous macular hole closure in bilateral macular holes.

    PubMed

    Win, Peter H; Young, Tara A

    2007-01-01

    The natural course of full thickness macular hole is progression in size and stage. There have been reports of spontaneous closure of unilateral idiopathic full thickness macular holes, but we report the first case of spontaneous closure of a full thickness macular hole in one eye in a patient with bilateral idiopathic full thickness macular holes. After macular hole surgery in the left eye of the patient, spontaneous closure of the macular hole in the right eye was observed during the follow-up period.

  8. Merging Black Holes

    NASA Astrophysics Data System (ADS)

    Centrella, Joan

    2009-05-01

    The final merger of two black holes is expected to be the strongest gravitational wave source for ground-based interferometers such as LIGO, VIRGO, and GEO600, as well as the space-based LISA. Observing these sources with gravitational wave detectors requires that we know the radiation waveforms they emit. And, when the black holes merge in the presence of gas and magnetic fields, various types of electromagnetic signals may also be produced. Since these mergers take place in regions of extreme gravity, we need to solve Einstein's equations of general relativity on a computer. For more than 30 years, scientists have tried to compute black hole mergers using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities, causing them to crash well before the black holes in the binary could complete even a single orbit. Within the past few years, however, this situation has changed dramatically, with a series of remarkable breakthroughs. This talk will focus on new simulations that are revealing the dynamics and waveforms of binary black hole mergers, and their applications in gravitational wave detection, testing general relativity, and astrophysics.

  9. Merging Black Holes

    NASA Technical Reports Server (NTRS)

    Centrella, John

    2009-01-01

    The final merger of two black holes is expected to be the strongest gravitational wave source for ground-based interferometers such as LIGO, VIRGO, and GEO600, as well as the space-based LISA. Observing these sources with gravitational wave detectors requires that we know the radiation waveforms they emit. And, when the black holes merge in the presence of gas and magnetic fields, various types of electromagnetic signals may also be produced. Since these mergers take place in regions of extreme gravity, we need to solve Einstein's equations of general relativity on a computer. For more than 30 years, scientists have tried to compute black hole mergers using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities, causing them to crash well before the black holes in the binary could complete even a single orbit. Within the past few years, however, this situation has changed dramatically, with a series of remarkable breakthroughs. This talk will focus on new simulations that are revealing the dynamics and waveforms of binary black hole mergers, and their applications in gravitational wave detection, testing general relativity, and astrophysics.

  10. Black Hole Boldly Goes Where No Black Hole Has Gone Before

    NASA Astrophysics Data System (ADS)

    2007-01-01

    centres of galaxies. It is perhaps possible for a stellar-mass black hole to gain enough mass through merging with other stellar-mass black holes or accreting star gas to stay locked in a cluster. About 100 solar masses would do. Once entrenched, the black hole has the opportunity to merge with other black holes or accrete gas from a local neighbourhood rife with star-stuff. In this way, they could grow into IMBHs. "If a black hole is massive enough, there's a good chance it can survive the pressures of living in a globular cluster, since it will be too heavy to be kicked out," said Arunav Kundu of Michigan State University, a co-author on the Nature report. "That's what is intriguing about this discovery. We may be seeing how a black hole can grow considerably, become more entrenched in the cluster, and then grow some more. "On the other hand," continued Kundu, "there are a variety of ways to make ULXs without requiring intermediate mass black holes. In particular, if the light goes out in a different direction than the one from which the gas comes in, it doesn't put any force on the gas. Also, if the light can be 'focused' towards us by reflecting off the gas in the same way that light from a flashlight bulb bounces off the little mirror in the flashlight, making the object appear brighter than it really is." Ongoing work will help to determine whether this object is a stellar-mass black hole showing an unusual manner of sucking in gas, allowing it to be extra bright, or an IMBH. The team, which also includes Steve Zepf from Michigan State University, and Katherine Rhode from Wesleyan University, has data for thousands of other globular clusters, which they are now analyzing in an effort to determine just how common this phenomenon is. Note for editors The findings appear on line in the 4 January issue of the journal Nature, in the article titled: "A black hole in a globular cluster", by Thomas J. Maccarone, Arunav Kundu, Stephen E. Zepf and Katherine L. Rhode.

  11. Energy levels, radiative rates and electron impact excitation rates for transitions in Si III

    NASA Astrophysics Data System (ADS)

    Aggarwal, Kanti M.

    2017-09-01

    Energy levels and radiative rates (A-values) for four types of transitions (E1, E2, M1, and M2) are reported for an astrophysically important Mg-like ion Si III, whose emission lines have been observed in a variety of plasmas. For the calculations, well-known and widely-used GRASP code has been adopted, and results are listed for transitions among the 141 levels of the 3 ℓ 3ℓ‧ and 3 ℓ 4 ℓ configurations. Experimental energies are available for only the lowest 58 levels but there is no major discrepancy with theoretical results. Similarly, the A-values and lifetimes show a satisfactory agreement with other available results, particularly for strong E1 transitions. Collision strengths are also calculated, with the DARC code, and listed for resonance transitions over a wide energy range, up to 30 Ryd. No similar results are available in the literature for comparisons. However, comparisons are made with the more important parameter, effective collision strength (Υ), for which recent R-matrix results are available for a wide range of transitions, and over a large range of temperatures. To determine Υ, resonances have been resolved in a narrow energy mesh, although these are not observed to be as important as for other ions. Unfortunately, large discrepancies in Υ values are noted for about half the transitions. The differences increase with increasing temperature and worsen as the upper level J increases. In most cases the earlier results are overestimated, by up to (almost) two orders of magnitude, and this conclusion is consistent with the one observed earlier for Be-like ions.

  12. Energy transfer and energy level decay processes in Tm{sup 3+}-doped tellurite glass

    SciTech Connect

    Gomes, Laercio; Lousteau, Joris; Milanese, Daniel; Scarpignato, Gerardo C.; Jackson, Stuart D.

    2012-03-15

    The primary excited state decay and energy transfer processes in singly Tm{sup 3+}-doped TeO{sub 2}:ZnO:Bi{sub 2}O{sub 3}:GeO{sub 2} (TZBG) glass relating to the {sup 3}F{sub 4}{yields}{sup 3}H{sub 6}{approx}1.85 {mu}m laser transition have been investigated in detail using time-resolved fluorescence spectroscopy. Selective laser excitation of the {sup 3}H{sub 4} manifold at 794 nm, the {sup 3}H{sub 5} manifold at 1220 nm, and {sup 3}F{sub 4} manifold at 1760 nm has established that the {sup 3}H{sub 5} manifold is entirely quenched by multiphonon relaxation in tellurite glass. The luminescence from the {sup 3}H{sub 4} manifold with an emission peak at 1465 nm suffers strong suppression due to cross relaxation that populates the {sup 3}F{sub 4} level with a near quadratic dependence on the Tm{sup 3+} concentration. The {sup 3}F{sub 4} lifetime becomes longer as the Tm{sup 3+} concentration increases due to energy migration and decreases to 2.92 ms when [Tm{sup 3+}] = 4 mol. % as a result of quasi-resonant energy transfer to free OH{sup -} radicals present in the glass at concentrations between 1 x 10{sup 18} cm{sup -3} and 2 x 10{sup 18} cm{sup -3}. Judd-Ofelt theory in conjunction with absorption measurements were used to obtain the radiative lifetimes and branching ratios of the energy levels located below 25 000 cm{sup -1}. The spectroscopic parameters, the cross relaxation and Tm{sup 3+}({sup 3}F{sub 4}) {yields} OH{sup -} energy transfer rates were used in a numerical model for laser transitions emitting at 2335 nm and 1865 nm.

  13. Impact of Atomic Structure on Absolute Energy Levels of Methylammonium Lead Iodide Perovskite

    NASA Astrophysics Data System (ADS)

    Choi, Joshua

    2015-03-01

    There has been a staggeringly rapid increase in the photovoltaic performance of methylammonium lead iodide (MAPbI3) perovskite - greater than 19 percent solar cell power conversion efficiency has been reported in less than five years since the first report in 2009. Despite the progress in device performance, structure-property relationships in MAPbI3 are still poorly understood. I will present our recent findings on the impact of changing the Pb-I bond length and Pb-I-Pb bond angle on the electronic structure of MAPbI3. By using the combination of temperature dependent X-ray scattering, ultraviolet photoelectron spectroscopy, absorbance and PL spectroscopy, we show that the energy levels of highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) shift in the same direction as MAPbI3 goes through tetragonal-to-cubic structural phase transition wherein the rotational angle of PbI6 octahedra is the order parameter of the transition. Our experimental results are corroborated by density functional theory calculations which show that the lattice expansion and bond angle distortion cause different degree of orbital overlap between the Pb and I atoms and the anti-bonding orbital nature of both HOMO and LUMO results in the same direction of their shift. Moreover, through pair distribution function analysis of X-ray scattering, we discovered that the majority of MAPbI3 in thin film solar cell layer has highly disordered structure with a coherence range of only 1.4 nm. The nanostructuring correlates with a blueshift of the absorption onset and increases the photoluminescence. Our results underscore the importance of understanding the structure-property relationships in order to improve the device performance of metal-organic perovskites.

  14. New power source from fractional quantum energy levels of atomic hydrogen that surpasses internal combustion

    NASA Astrophysics Data System (ADS)

    Mills, R. L.; Ray, P.; Dhandapani, B.; Nansteel, M.; Chen, X.; He, J.

    2002-12-01

    Extreme ultraviolet (EUV) spectroscopy was recorded on microwave discharges of helium with 2% hydrogen. Novel emission lines were observed with energies of q·13.6 eV where q=1,2,3,4,6,7,8,9, or 11 or these lines inelastically scattered by helium atoms wherein 21.2 eV was absorbed in the excitation of He (1s 2) to He (1s 12p 1). These lines were identified as hydrogen transitions to electronic energy levels below the 'ground' state corresponding to fractional quantum numbers. Significant line broadening corresponding to an average hydrogen atom temperature of 33-38 eV was observed for helium-hydrogen discharge plasmas; whereas pure hydrogen showed no excessive broadening corresponding to an average hydrogen atom temperature of ≈3 eV. Since a significant increase in H temperature was observed with helium-hydrogen discharge plasmas, and energetic hydrino lines were observed at short wavelengths in the corresponding microwave plasmas that required a very significant reaction rate due to low photon detection efficiency in this region, the power balance was measured on the helium-hydrogen microwave plasmas. With a microwave input power of 30 W, the thermal output power was measured to be at least 300 W corresponding to a reactor temperature rise from room temperature to 900 °C within 90 s, a power density of 30 MW/m 3, and an energy balance of about -4×10 5 kJ/mol H 2 compared to the enthalpy of combustion of hydrogen of -241.8 kJ/mol H 2.

  15. Optimal Monochromatic Energy Levels in Spectral CT Pulmonary Angiography for the Evaluation of Pulmonary Embolism

    PubMed Central

    Wu, Huawei; Zhang, Qing; Hua, Jia; Hua, Xiaolan; Xu, Jianrong

    2013-01-01

    Background The aim of this study was to determine the optimal monochromatic spectral CT pulmonary angiography (sCTPA) levels to obtain the highest image quality and diagnostic confidence for pulmonary embolism detection. Methods The Institutional Review Board of the Shanghai Jiao Tong University School of Medicine approved this study, and written informed consent was obtained from all participating patients. Seventy-two patients with pulmonary embolism were scanned with spectral CT mode in the arterial phase. One hundred and one sets of virtual monochromatic spectral (VMS) images were generated ranging from 40 keV to 140 keV. Image noise, clot diameter and clot to artery contrast-to-noise ratio (CNR) from seven sets of VMS images at selected monochromatic levels in sCTPA were measured and compared. Subjective image quality and diagnostic confidence for these images were also assessed and compared. Data were analyzed by paired t test and Wilcoxon rank sum test. Results The lowest noise and the highest image quality score for the VMS images were obtained at 65 keV. The VMS images at 65 keV also had the second highest CNR value behind that of 50 keV VMS images. There was no difference in the mean noise and CNR between the 65 keV and 70 keV VMS images. The apparent clot diameter correlated with the keV levels. Conclusions The optimal energy level for detecting pulmonary embolism using dual-energy spectral CT pulmonary angiography was 65–70 keV. Virtual monochromatic spectral images at approximately 65–70 keV yielded the lowest image noise, high CNR and highest diagnostic confidence for the detection of pulmonary embolism. PMID:23667583

  16. Light-Controlled Reversible Modulation of Frontier Molecular Orbital Energy Levels in Trifluoromethylated Diarylethenes.

    PubMed

    Herder, Martin; Eisenreich, Fabian; Bonasera, Aurelio; Grafl, Anna; Grubert, Lutz; Pätzel, Michael; Schwarz, Jutta; Hecht, Stefan

    2017-01-17

    Among bistable photochromic molecules, diarylethenes (DAEs) possess the distinct feature that upon photoisomerization they undergo a large modulation of their π-electronic system, accompanied by a marked shift of the HOMO/LUMO energies and hence oxidation/reduction potentials. The electronic modulation can be utilized to remote-control charge- as well as energy-transfer processes and it can be transduced to functional entities adjacent to the DAE core, thereby regulating their properties. In order to exploit such photoswitchable systems it is important to precisely adjust the absolute position of their HOMO and LUMO levels and to maximize the extent of the photoinduced shifts of these energy levels. Here, we present a comprehensive study detailing how variation of the substitution pattern of DAE compounds, in particular using strongly electron-accepting and chemically stable trifluoromethyl groups either in the periphery or at the reactive carbon atoms, allows for the precise tuning of frontier molecular orbital levels over a broad energy range and the generation of photoinduced shifts of more than 1 eV. Furthermore, the effect of different DAE architectures on the transduction of these shifts to an adjacent functional group is discussed. Whereas substitution in the periphery of the DAE motif has only minor implications on the photochemistry, trifluoromethylation at the reactive carbon atoms strongly disturbs the isomerization efficiency. However, this can be overcome by using a nonsymmetrical substitution pattern or by combination with donor groups, rendering the resulting photoswitches attractive candidates for the construction of remote-controlled functional systems.

  17. Hydrogen-like atom in a superstrong magnetic field: Photon emission and relativistic energy level shift

    NASA Astrophysics Data System (ADS)

    Skobelev, V. V.

    2017-06-01

    Following our previous work, additional arguments are presented that in superstrong magnetic fields B ≫ (Zα)2 B 0, B 0 = m 2 c 3/ eħ ≈ 4.41 × 1013 G, the Dirac equation and the Schrödinger equation for an electron in the nucleus field following from it become spatially one-dimensional with the only z coordinate along the magnetic field, "Dirac" spinors become two-component, while the 2 × 2 matrices operate in the {0; 3} subspace. Based on the obtained solution of the Dirac equation and the known solution of the "onedimensional" Schrödinger equation by ordinary QED methods extrapolated to the {0; 3} subspace, the probability of photon emission by a "one-dimensional" hydrogen-like atom is calculated, which, for example, for the Lyman-alpha line differs almost twice from the probability in the "three-dimensional" case. Similarly, despite the coincidence of nonrelativistic energy levels, the calculated relativistic corrections of the order of (Zα)4 substantially differ from corrections in the absence of a magnetic field. A conclusion is made that, by analyzing the hydrogen emission spectrum and emission spectra at all, we can judge in principle about the presence or absence of superstrong magnetic fields in the vicinity of magnetars (neutron stars and probably brown dwarfs). Possible prospects of applying the proposed method for calculations of multielectron atoms are pointed out and the possibility of a more reliable determination of the presence of superstrong magnetic fields in magnetars by this method is considered.

  18. Effect of Different Energy Levels of Microwave on Disinfection of Dental Stone Casts

    PubMed Central

    Robati Anaraki, Mahmood; Lotfipour, Farzaneh; Moslehifard, Elnaz; Momtaheni, Ali; Sigari, Pooyan

    2013-01-01

    Background and aims Current chemical methods may not efficiently disinfect dental stone casts. The aim of this study was to investigate if microwave irradiation is effective for disinfection of stone casts. Materials and methods In this laboratory study, three groups (n = 162) of prepared spherical stone beads as carriers with a diameter of 10 mm were inoculated by separately soaking in three broth culture media, each containing a study microorganism—Pseudomonas aeruginosa, Staphylococcus aureus or Candida albicans. Six inoculated carriers were used for every test, including irradiation in a household microwave oven at 300, 450, 600 or 900 W energy level, or soaking in 0.03%, 0.06%, 0.12%, 0.25% or 0.50% concentration of sodium hypochlorite solution, at 1, 2, or 3-minute test times. Positive and negative control groups were considered for each test. All treated carriers were then individually transferred to nutrient broth culture medium and one milliliter from each tube was cultured in nutrient agar media over night. Colony forming unit per milliliter (CFU/mL) was counted, and multi-factor ANOVA was used to analyze data (α = 0.05). Results Microwave irradiation at 600 W resulted in high-level disinfection in 3 minutes. Immersion of the stone casts in hypochlorite solution at 0.06% concentration resulted in disinfection after 2 minutes. Conclusion According to the results, high level disinfection of the stone casts can be achieved by microwave irradiation at 600 W in 3 minutes, similar to a validated chemical method. PMID:24082984

  19. Janus black holes

    NASA Astrophysics Data System (ADS)

    Bak, Dongsu; Gutperle, Michael; Janik, Romuald A.

    2011-10-01

    In this paper Janus black holes in A dS 3 are considered. These are static solutions of an Einstein-scalar system with broken translation symmetry along the horizon. These solutions are dual to interface conformal field theories at finite temperature. An approximate solution is first constructed using perturbation theory around a planar BTZ blackhole. Numerical and exact solutions valid for all sets of parameters are then found and compared. Using the exact solution the thermodynamics of the system is analyzed. The entropy associated with the Janus black hole is calculated and it is found that the entropy of the black Janus is the sum of the undeformed black hole entropy and the entanglement entropy associated with the defect.

  20. Black-hole astrophysics

    SciTech Connect

    Bender, P.; Bloom, E.; Cominsky, L.

    1995-07-01

    Black-hole astrophysics is not just the investigation of yet another, even if extremely remarkable type of celestial body, but a test of the correctness of the understanding of the very properties of space and time in very strong gravitational fields. Physicists` excitement at this new prospect for testing theories of fundamental processes is matched by that of astronomers at the possibility to discover and study a new and dramatically different kind of astronomical object. Here the authors review the currently known ways that black holes can be identified by their effects on their neighborhood--since, of course, the hole itself does not yield any direct evidence of its existence or information about its properties. The two most important empirical considerations are determination of masses, or lower limits thereof, of unseen companions in binary star systems, and measurement of luminosity fluctuations on very short time scales.

  1. Bringing Black Holes Home

    NASA Astrophysics Data System (ADS)

    Furmann, John M.

    2003-03-01

    Black holes are difficult to study because they emit no light. To overcome this obstacle, scientists are trying to recreate a black hole in the laboratory. The article gives an overview of the theories of Einstein and Hawking as they pertain to the construction of the Large Hadron Collider (LHC) near Geneva, Switzerland, scheduled for completion in 2006. The LHC will create two beams of protons traveling in opposing directions that will collide and create a plethora of scattered elementary particles. Protons traveling in opposite directions at very high velocities may create particles that come close enough to each other to feel their compacted higher dimensions and create a mega force of gravity that can create tiny laboratory-sized black holes for fractions of a second. The experiments carried out with LHC will be used to test modern string theory and relativity.

  2. Merging Black Holes

    NASA Technical Reports Server (NTRS)

    Centrella, Joan

    2012-01-01

    The final merger of two black holes is expected to be the strongest source of gravitational waves for both ground-based detectors such as LIGO and VIRGO, as well as future. space-based detectors. Since the merger takes place in the regime of strong dynamical gravity, computing the resulting gravitational waveforms requires solving the full Einstein equations of general relativity on a computer. For many years, numerical codes designed to simulate black hole mergers were plagued by a host of instabilities. However, recent breakthroughs have conquered these instabilities and opened up this field dramatically. This talk will focus on.the resulting 'gold rush' of new results that is revealing the dynamics and waveforms of binary black hole mergers, and their applications in gravitational wave detection, testing general relativity, and astrophysics

  3. Ozone Hole Over Antarctica

    NASA Technical Reports Server (NTRS)

    2002-01-01

    These images from the Total Ozone Mapping Spectrometer (TOMS) show the progressive depletion of ozone over Antarctica from 1979 to 1999. This 'ozone hole' has extended to cover an area as large as 10.5 million square miles in September 1998. The previous record of 10.0 million square miles was set in 1996. The Antarctic ozone hole develops each year between late August and early October. Regions with higher levels of ozone are shown in red. NASA and NOAA instruments have been measuring Antarctic ozone levels since the early 1970s. Large regions of depleted ozone began to develop over Antarctica in the early 1980s. Ozone holes of substantial size and depth are likely to continue to form during the next few years, scientists hope to see a reduction in ozone loss as levels of ozone-destroying CFCs (chlorofluorocarbons) are gradually reduced. Credit: Images by Greg Shirah, NASA Goddard Space Flight Center Scientific Visualization Studio

  4. Black hole entropy quantization.

    PubMed

    Corichi, Alejandro; Díaz-Polo, Jacobo; Fernández-Borja, Enrique

    2007-05-04

    Ever since the pioneering works of Bekenstein and Hawking, black hole entropy has been known to have a quantum origin. Furthermore, it has long been argued by Bekenstein that entropy should be quantized in discrete (equidistant) steps given its identification with horizon area in (semi-)classical general relativity and the properties of area as an adiabatic invariant. This lead to the suggestion that the black hole area should also be quantized in equidistant steps to account for the discrete black hole entropy. Here we shall show that loop quantum gravity, in which area is not quantized in equidistant steps, can nevertheless be consistent with Bekenstein's equidistant entropy proposal in a subtle way. For that we perform a detailed analysis of the number of microstates compatible with a given area and show consistency with the Bekenstein framework when an oscillatory behavior in the entropy-area relation is properly interpreted.

  5. Merging Black Holes

    NASA Technical Reports Server (NTRS)

    Centrella, Joan

    2010-01-01

    The final merger of two black holes is expected to be the strongest source of gravitational waves for both ground-based detectors such as LIGO and VIRGO, as well as the space-based LISA. Since the merger takes place in the regime of strong dynamical gravity, computing the resulting gravitational waveforms requires solving the full Einstein equations of general relativity on a computer. For many years, numerical codes designed to simulate black hole mergers were plagued by a host of instabilities. However, recent breakthroughs have conquered these instabilities and opened up this field dramatically. This talk will focus on the resulting gold rush of new results that are revealing the dynamics and waveforms of binary black hole mergers, and their applications in gravitational wove detection, testing general relativity, and astrophysics.

  6. Noncommutative black hole thermodynamics

    SciTech Connect

    Banerjee, Rabin; Majhi, Bibhas Ranjan; Samanta, Saurav

    2008-06-15

    We give a general derivation, for any static spherically symmetric metric, of the relation T{sub h}=(K/2{pi}) connecting the black hole temperature (T{sub h}) with the surface gravity (K), following the tunneling interpretation of Hawking radiation. This derivation is valid even beyond the semi-classical regime, i.e. when quantum effects are not negligible. The formalism is then applied to a spherically symmetric, stationary noncommutative Schwarzschild space-time. The effects of backreaction are also included. For such a black hole the Hawking temperature is computed in a closed form. A graphical analysis reveals interesting features regarding the variation of the Hawking temperature (including corrections due to noncommutativity and backreaction) with the small radius of the black hole. The entropy and tunneling rate valid for the leading order in the noncommutative parameter are calculated. We also show that the noncommutative Bekenstein-Hawking area law has the same functional form as the usual one.

  7. Merging Black Holes

    NASA Technical Reports Server (NTRS)

    Centrella, Joan

    2010-01-01

    The final merger of two black holes is expected to be the strongest source of gravitational waves for both ground-based detectors such as LIGO and VIRGO, as well as the space-based LISA. Since the merger takes place in the regime of strong dynamical gravity, computing the resulting gravitational waveforms requires solving the full Einstein equations of general relativity on a computer. For many years, numerical codes designed to simulate black hole mergers were plagued by a host of instabilities. However, recent breakthroughs have conquered these instabilities and opened up this field dramatically. This talk will focus on the resulting gold rush of new results that are revealing the dynamics and waveforms of binary black hole mergers, and their applications in gravitational wove detection, testing general relativity, and astrophysics.

  8. Merging Black Holes

    NASA Technical Reports Server (NTRS)

    Centrella, Joan

    2010-01-01

    The final merger of two black holes is expected to be the strongest source of gravitational waves for both ground-based detectors such as LIGO and VIRGO, as well as the space-based LISA. Since the merger takes place in the regime of strong dynamical gravity, computing the resulting gravitational waveforms requires solving the full Einstein equations of general relativity on a computer. For many years, numerical codes designed to simulate black hole mergers were plagued by a host of instabilities. However, recent breakthroughs have conquered these instabilities and opened up this field dramatically. This talk will focus on the resulting gold rush of new results that are revealing the dynamics and waveforms of binary black hole mergers, and their applications in gravitational wave detection, testing general relativity, and astrophysics.

  9. Turbulent black holes.

    PubMed

    Yang, Huan; Zimmerman, Aaron; Lehner, Luis

    2015-02-27

    We demonstrate that rapidly spinning black holes can display a new type of nonlinear parametric instability-which is triggered above a certain perturbation amplitude threshold-akin to the onset of turbulence, with possibly observable consequences. This instability transfers from higher temporal and azimuthal spatial frequencies to lower frequencies-a phenomenon reminiscent of the inverse cascade displayed by (2+1)-dimensional fluids. Our finding provides evidence for the onset of transitory turbulence in astrophysical black holes and predicts observable signatures in black hole binaries with high spins. Furthermore, it gives a gravitational description of this behavior which, through the fluid-gravity duality, can potentially shed new light on the remarkable phenomena of turbulence in fluids.

  10. Black Hole Paradoxes

    NASA Astrophysics Data System (ADS)

    Joshi, Pankaj S.; Narayan, Ramesh

    2016-10-01

    We propose here that the well-known black hole paradoxes such as the information loss and teleological nature of the event horizon are restricted to a particular idealized case, which is the homogeneous dust collapse model. In this case, the event horizon, which defines the boundary of the black hole, forms initially, and the singularity in the interior of the black hole at a later time. We show that, in contrast, gravitational collapse from physically more realistic initial conditions typically leads to the scenario in which the event horizon and space-time singularity form simultaneously. We point out that this apparently simple modification can mitigate the causality and teleological paradoxes, and also lends support to two recently suggested solutions to the information paradox, namely, the ‘firewall’ and ‘classical chaos’ proposals.

  11. Slowly balding black holes

    SciTech Connect

    Lyutikov, Maxim; McKinney, Jonathan C.

    2011-10-15

    The 'no-hair' theorem, a key result in general relativity, states that an isolated black hole is defined by only three parameters: mass, angular momentum, and electric charge; this asymptotic state is reached on a light-crossing time scale. We find that the no-hair theorem is not formally applicable for black holes formed from the collapse of a rotating neutron star. Rotating neutron stars can self-produce particles via vacuum breakdown forming a highly conducting plasma magnetosphere such that magnetic field lines are effectively ''frozen in'' the star both before and during collapse. In the limit of no resistivity, this introduces a topological constraint which prohibits the magnetic field from sliding off the newly-formed event horizon. As a result, during collapse of a neutron star into a black hole, the latter conserves the number of magnetic flux tubes N{sub B}=e{Phi}{sub {infinity}}/({pi}c({h_bar}/2{pi})), where {Phi}{sub {infinity}}{approx_equal}2{pi}{sup 2}B{sub NS}R{sub NS}{sup 3}/(P{sub NS}c) is the initial magnetic flux through the hemispheres of the progenitor and out to infinity. We test this theoretical result via 3-dimensional general relativistic plasma simulations of rotating black holes that start with a neutron star dipole magnetic field with no currents initially present outside the event horizon. The black hole's magnetosphere subsequently relaxes to the split-monopole magnetic field geometry with self-generated currents outside the event horizon. The dissipation of the resulting equatorial current sheet leads to a slow loss of the anchored flux tubes, a process that balds the black hole on long resistive time scales rather than the short light-crossing time scales expected from the vacuum no-hair theorem.

  12. A Critical Compilation of Energy Levels, Spectral Lines, and Transition Probabilities of Singly Ionized Silver, Ag II.

    PubMed

    Kramida, Alexander

    2013-01-01

    All available experimental measurements of the spectrum of the Ag(+) ion are critically reviewed. Systematic shifts are removed from the measured wavelengths. The compiled list of critically evaluated wavelengths is used to derive a comprehensive list of energy levels with well-defined uncertainties. Eigenvector compositions and level designations are found in two alternate coupling schemes. Some of the older work is found to be incorrect. A revised value of the ionization energy, 173283(7) cm(-1), equivalent to 21.4844(8) eV, is derived from the new energy levels. A set of critically evaluated transition probabilities is given.

  13. The energy-level crossing behavior and quantum Fisher information in a quantum well with spin-orbit coupling.

    PubMed

    Wang, Z H; Zheng, Q; Wang, Xiaoguang; Li, Yong

    2016-03-02

    We study the energy-level crossing behavior in a two-dimensional quantum well with the Rashba and Dresselhaus spin-orbit couplings (SOCs). By mapping the SOC Hamiltonian onto an anisotropic Rabi model, we obtain the approximate ground state and its quantum Fisher information (QFI) via performing a unitary transformation. We find that the energy-level crossing can occur in the quantum well system within the available parameters rather than in cavity and circuit quantum eletrodynamics systems. Furthermore, the influence of two kinds of SOCs on the QFI is investigated and an intuitive explanation from the viewpoint of the stationary perturbation theory is given.

  14. Electron-phonon interaction effect on the energy levels and diamagnetic susceptibility of quantum wires: Parallelogram and triangle cross section

    SciTech Connect

    Khordad, R. Bahramiyan, H.

    2014-03-28

    In this paper, optical phonon modes are studied within the framework of dielectric continuum approach for parallelogram and triangular quantum wires, including the derivation of the electron-phonon interaction Hamiltonian and a discussion on the effects of this interaction on the electronic energy levels. The polaronic energy shift is calculated for both ground-state and excited-state electron energy levels by applying the perturbative approach. The effects of the electron-phonon interaction on the expectation value of r{sup 2} and diamagnetic susceptibility for both quantum wires are discussed.

  15. Energy-level shifts and the decay rate of an atom in the presence of a conducting wedge

    NASA Astrophysics Data System (ADS)

    Mohammadi, Zahra; Kheirandish, Fardin

    2015-12-01

    In the present article explicit expressions for the decay rate and energy-level shifts of an atom in the presence of an ideal conducting wedge, two parallel plates, and a half sheet are obtained in the framework of the canonical quantization approach. The angular and radial dependences of the decay rate for different atomic polarizations of an excited atom and also of the energy-level shifts are depicted and discussed. The consistency of the present approach in some limiting cases is investigated by comparing the relevant results obtained here to the previously reported results.

  16. A Critical Compilation of Energy Levels, Spectral Lines, and Transition Probabilities of Singly Ionized Silver, Ag II

    PubMed Central

    Kramida, Alexander

    2013-01-01

    All available experimental measurements of the spectrum of the Ag+ ion are critically reviewed. Systematic shifts are removed from the measured wavelengths. The compiled list of critically evaluated wavelengths is used to derive a comprehensive list of energy levels with well-defined uncertainties. Eigenvector compositions and level designations are found in two alternate coupling schemes. Some of the older work is found to be incorrect. A revised value of the ionization energy, 173283(7) cm−1, equivalent to 21.4844(8) eV, is derived from the new energy levels. A set of critically evaluated transition probabilities is given. PMID:26401429

  17. Effect of residual gases in high vacuum on the energy-level alignment at noble metal/organic interfaces

    SciTech Connect

    Helander, M. G.; Wang, Z. B.; Lu, Z. H.

    2011-10-31

    The energy-level alignment at metal/organic interfaces has traditionally been studied using ultraviolet photoelectron spectroscopy (UPS) in ultra-high vacuum (UHV). However, since most devices are fabricated in high vacuum (HV), these studies do not accurately reflect the interfaces in real devices. We demonstrate, using UPS measurements of samples prepared in HV and UHV and current-voltage measurements of devices prepared in HV, that the small amounts of residual gases that are adsorbed on the surface of clean Cu, Ag, and Au (i.e., the noble metals) in HV can significantly alter the energy-level alignment at metal/organic interfaces.

  18. Energy levels and far-infrared optical absorption of impurity doped semiconductor nanorings: Intense laser and electric fields effects

    NASA Astrophysics Data System (ADS)

    Barseghyan, M. G.

    2016-11-01

    The effects of electron-impurity interaction on energy levels and far-infrared absorption in semiconductor nanoring under the action of intense laser and lateral electric fields have been investigated. Numerical calculations are performed using exact diagonalization technique. It is found that the electron-impurity interaction and external fields change the energy spectrum dramatically, and also have significant influence on the absorption spectrum. Strong dependence on laser field intensity and electric field of lowest energy levels, also supported by the Coulomb interaction with impurity, is clearly revealed.

  19. The energy-level crossing behavior and quantum Fisher information in a quantum well with spin-orbit coupling

    PubMed Central

    Wang, Z. H.; Zheng, Q.; Wang, Xiaoguang; Li, Yong

    2016-01-01

    We study the energy-level crossing behavior in a two-dimensional quantum well with the Rashba and Dresselhaus spin-orbit couplings (SOCs). By mapping the SOC Hamiltonian onto an anisotropic Rabi model, we obtain the approximate ground state and its quantum Fisher information (QFI) via performing a unitary transformation. We find that the energy-level crossing can occur in the quantum well system within the available parameters rather than in cavity and circuit quantum eletrodynamics systems. Furthermore, the influence of two kinds of SOCs on the QFI is investigated and an intuitive explanation from the viewpoint of the stationary perturbation theory is given. PMID:26931762

  20. Energy level alignment in polymer organic solar cells at donor-acceptor planar junction formed by electrospray vacuum deposition

    SciTech Connect

    Kim, Ji-Hoon; Hong, Jong-Am; Kwon, Dae-Gyeon; Seo, Jaewon; Park, Yongsup

    2014-04-21

    Using ultraviolet photoelectron spectroscopy (UPS), we have measured the energy level offset at the planar interface between poly(3-hexylthiophene) (P3HT) and C{sub 61}-butyric acid methylester (PCBM). Gradual deposition of PCBM onto spin-coated P3HT in high vacuum was made possible by using electrospray vacuum deposition (EVD). The UPS measurement of EVD-prepared planar interface resulted in the energy level offset of 0.91 eV between P3HT HOMO and PCBM LUMO, which is considered as the upper limit of V{sub oc} of the organic photovoltaic cells.