Nature of the valence band states in Bi2(Ca, Sr, La)3Cu2O8

International Nuclear Information System (INIS)

Wells, B.O.; Lindberg, P.A.P.; Shen, Z.; Dessau, D.S.; Spicer, W.E.; Lindau, I.; Mitzi, D.B.; Kapitulnik, A.

1990-01-01

We have used photoemission spectroscopy to examine the symmetry of the occupied states of the valence band for the La doped superconductor Bi 2 (Ca, Sr, La) 3 Cu 2 O 8 . While the oxygen states near the bottom of the 7 eV wide valence band exhibit predominantly O 2p z symmetry, the states at the top of the valence band extending to the Fermi level are found to have primarily O 2p x and O 2p y character. We have also examined anomalous intensity enhancements in the valence band feature for photon energies near 18 eV. These enhancements, which occur at photon energies ranging from 15.8 to 18.0 eV for the different valence band features, are not consistent with either simple final state effects or direct O2s transitions to unoccupied O2p states

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

International Nuclear Information System (INIS)

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

1995-01-01

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

High-energy band structure of gold

DEFF Research Database (Denmark)

Christensen, N. Egede

1976-01-01

The band structure of gold for energies far above the Fermi level has been calculated using the relativistic augmented-plane-wave method. The calculated f-band edge (Γ6-) lies 15.6 eV above the Fermi level is agreement with recent photoemission work. The band model is applied to interpret...

Determination of density of band-gap states of hydrogenated amorphous silicon suboxide thin films

International Nuclear Information System (INIS)

Bacioglu, A.

2005-01-01

Variation of density of gap states of PECVD silicon suboxide films with different oxygen concentrations was evaluated through electrical and optical measurements. Optical transmission and constant photocurrent method (CPM) were used to determine absorption coefficient as a function of photon energy. From these measurements the localized density of states between the valance band mobility edge and Fermi level has been determined. To determine the variation of conduction band edge, steady state photoconductivity (SSPC), photoconductivity response time (PCRT) and transient photoconductivity (TPC) measurements were utilized. Results indicate that the conduction and valance band edges, both, widen monotonically with oxygen content

Ground state shape and crossing of near spherical and deformed bands in 182Hg

International Nuclear Information System (INIS)

Ma, W.C.; Ramayya, A.V.; Hamilton, J.H.; Robinson, S.J.; Barclay, M.E.; Zhao, K.; Cole, J.D.; Zganjar, E.F.; Spejewski, E.H.

1983-01-01

The energy levels of 182 Hg have been identified for the first time through comparison of in-beam studies of the reactions 156 154 Gd( 32 S,4n) 184 182 Hg. Levels up to 12 + in 182 Hg were established from γ-γ coincidence and singles measurement. The data establish that the ground state shape is near spherical, and that the ground band is crossed by a well deformed band at 4 + . In contrast to IBA model predictions that the deformed band will rise in energy in 182 Hg compared to 184 Hg, the energies of the deformed levels in 182 Hg continue to drop. 7 references

Conservation of topological quantum numbers in energy bands

International Nuclear Information System (INIS)

Chang, L.N.; Liang, Y.

1988-01-01

Quantum systems described by parametrized Hamiltinians are studied in a general context. Within this context, the classification scheme of Avron-Seiler-Simon for non-degenerate energy bands is extended to cover general parameter spaces, whole their sum rule is generalized to cover cases with degenerate bands as well. Additive topological quantum numbers are defined, and these are shown to be conserved in energy band ''collisions''. The conservation laws dictate that when some invariants are non-vanishing, no energy gap can develop in a set of degenerate bands. This gives rise to a series of splitting rules

Lateral energy band profile modulation in tunnel field effect transistors based on gate structure engineering

Directory of Open Access Journals (Sweden)

Ning Cui

2012-06-01

Full Text Available Choosing novel materials and structures is important for enhancing the on-state current in tunnel field-effect transistors (TFETs. In this paper, we reveal that the on-state performance of TFETs is mainly determined by the energy band profile of the channel. According to this interpretation, we present a new concept of energy band profile modulation (BPM achieved with gate structure engineering. It is believed that this approach can be used to suppress the ambipolar effect. Based on this method, a Si TFET device with a symmetrical tri-material-gate (TMG structure is proposed. Two-dimensional numerical simulations demonstrated that the special band profile in this device can boost on-state performance, and it also suppresses the off-state current induced by the ambipolar effect. These unique advantages are maintained over a wide range of gate lengths and supply voltages. The BPM concept can serve as a guideline for improving the performance of nanoscale TFET devices.

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

CERN Document Server

Maehira, T; Ueda, K; Hasegawa, A

2003-01-01

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

The dependence of the tunneling characteristic on the electronic energy bands and the carrier’s states of Graphene superlattice

Science.gov (United States)

Yang, C. H.; Shen, G. Z.; Ao, Z. M.; Xu, Y. W.

2016-09-01

Using the transfer matrix method, the carrier tunneling properties in graphene superlattice generated by the Thue-Morse sequence and Kolakoski sequence are investigated. The positions and strength of the transmission can be modulated by the barrier structures, the incident energy and angle, the height and width of the potential. These carriers tunneling characteristic can be understood from the energy band structures in the corresponding superlattice systems and the carrier’s states in well/barriers. The transmission peaks above the critical incident angle rely on the carrier’s resonance in the well regions. The structural diversity can modulate the electronic and transport properties, thus expanding its applications.

Exotic superconductivity with enhanced energy scales in materials with three band crossings

Science.gov (United States)

Lin, Yu-Ping; Nandkishore, Rahul M.

2018-04-01

Three band crossings can arise in three-dimensional quantum materials with certain space group symmetries. The low energy Hamiltonian supports spin one fermions and a flat band. We study the pairing problem in this setting. We write down a minimal BCS Hamiltonian and decompose it into spin-orbit coupled irreducible pairing channels. We then solve the resulting gap equations in channels with zero total angular momentum. We find that in the s-wave spin singlet channel (and also in an unusual d-wave `spin quintet' channel), superconductivity is enormously enhanced, with a possibility for the critical temperature to be linear in interaction strength. Meanwhile, in the p-wave spin triplet channel, the superconductivity exhibits features of conventional BCS theory due to the absence of flat band pairing. Three band crossings thus represent an exciting new platform for realizing exotic superconducting states with enhanced energy scales. We also discuss the effects of doping, nonzero temperature, and of retaining additional terms in the k .p expansion of the Hamiltonian.

Measurement of the band gap by reflection electron energy loss spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Vos, Maarten, E-mail: maarten.vos@anu.edu.au [Electronic Materials Engineering Department, Research School of Physics and Engineering, The Australian National University, Canberra 0200 (Australia); King, Sean W. [Logic Technology Development, Intel Corporation, Hillsboro, OR 97124 (United States); French, Benjamin L. [Ocotillo Materials Laboratory, Intel Corporation, Chandler, AZ 85248 (United States)

2016-10-15

Highlights: • Semiconductors are measured (without surface preparation) using REELS. • At low beam energies it is difficult to measure band gap due to surface impurities. • At very high energies it is difficult to measure band gap due to recoil effect. • At intermediate energies (around 5 keV) one obtains a good estimate of the band gap. - Abstract: We investigate the possibilities of measuring the band gap of a variety of semiconductors and insulators by reflection electron energy loss spectroscopy without additional surface preparation. The band gap is a bulk property, whereas reflection energy loss spectroscopy is generally considered a surface sensitive technique. By changing the energy of the incoming electrons, the degree of surface sensitivity can be varied. Here, we present case studies to determine the optimum condition for the determination of the band gap. At very large incoming electron energies recoil effects interfere with the band gap determination, whereas at very low energies surface effects are obscuring the band gap without surface preparation. Using an incoming energy of 5 keV a reasonable estimate of the band gap is obtained in most cases.

Measurement of the band gap by reflection electron energy loss spectroscopy

International Nuclear Information System (INIS)

Vos, Maarten; King, Sean W.; French, Benjamin L.

2016-01-01

Highlights: • Semiconductors are measured (without surface preparation) using REELS. • At low beam energies it is difficult to measure band gap due to surface impurities. • At very high energies it is difficult to measure band gap due to recoil effect. • At intermediate energies (around 5 keV) one obtains a good estimate of the band gap. - Abstract: We investigate the possibilities of measuring the band gap of a variety of semiconductors and insulators by reflection electron energy loss spectroscopy without additional surface preparation. The band gap is a bulk property, whereas reflection energy loss spectroscopy is generally considered a surface sensitive technique. By changing the energy of the incoming electrons, the degree of surface sensitivity can be varied. Here, we present case studies to determine the optimum condition for the determination of the band gap. At very large incoming electron energies recoil effects interfere with the band gap determination, whereas at very low energies surface effects are obscuring the band gap without surface preparation. Using an incoming energy of 5 keV a reasonable estimate of the band gap is obtained in most cases.

Ground-state and pairing-vibrational bands with equal quadrupole collectivity in 124Xe

Science.gov (United States)

Radich, A. J.; Garrett, P. E.; Allmond, J. M.; Andreoiu, C.; Ball, G. C.; Bianco, L.; Bildstein, V.; Chagnon-Lessard, S.; Cross, D. S.; Demand, G. A.; Diaz Varela, A.; Dunlop, R.; Finlay, P.; Garnsworthy, A. B.; Hackman, G.; Hadinia, B.; Jigmeddorj, B.; Laffoley, A. T.; Leach, K. G.; Michetti-Wilson, J.; Orce, J. N.; Rajabali, M. M.; Rand, E. T.; Starosta, K.; Sumithrarachchi, C. S.; Svensson, C. E.; Triambak, S.; Wang, Z. M.; Wood, J. L.; Wong, J.; Williams, S. J.; Yates, S. W.

2015-04-01

The nuclear structure of 124Xe has been investigated via measurements of the β+/EC decay of 124Cs with the 8 π γ -ray spectrometer at the TRIUMF-ISAC facility. The data collected have enabled branching ratio measurements of weak, low-energy transitions from highly excited states, and the 2+→0+ in-band transitions have been observed. Combining these results with those from a previous Coulomb excitation study, B (E 2 ;23+→02+) =78 (13 ) W.u. and B (E 2 ;24+→03+) =53 (12 ) W.u. were determined. The 03+ state, in particular, is interpreted as the main fragment of the proton-pairing vibrational band identified in a previous 122Te (3He,n )124Xe measurement, and has quadrupole collectivity equal to, within uncertainty, that of the ground-state band.

Photoconductivities from band states and a dissipative electron dynamics: Si(111) without and with adsorbed Ag clusters

International Nuclear Information System (INIS)

Vazhappilly, Tijo; Hembree, Robert H.; Micha, David A.

2016-01-01

A new general computational procedure is presented to obtain photoconductivities starting from atomic structures, combining ab initio electronic energy band states with populations from density matrix theory, and implemented for a specific set of materials based on Si crystalline slabs and their nanostructured surfaces without and with adsorbed Ag clusters. The procedure accounts for charge mobility in semiconductors in photoexcited states, and specifically electron and hole photomobilities at Si(111) surfaces with and without adsorbed Ag clusters using ab initio energy bands and orbitals generated from a generalized gradient functional, however with excited energy levels modified to provide correct bandgaps. Photoexcited state populations for each band and carrier type were generated using steady state solution of a reduced density matrix which includes dissipative medium effects. The present calculations provide photoexcited electronic populations and photoinduced mobilities resulting from applied electric fields and obtained from the change of driven electron energies with their electronic momentum. Extensive results for Si slabs with 8 layers, without and with adsorbed Ag clusters, show that the metal adsorbates lead to substantial increases in the photomobility and photoconductivity of electrons and holes

Touching points in the energy band structure of bilayer graphene superlattices

International Nuclear Information System (INIS)

Pham, C Huy; Nguyen, V Lien

2014-01-01

The energy band structure of the bilayer graphene superlattices with zero-averaged periodic δ-function potentials are studied within the four-band continuum model. Using the transfer matrix method, the study is mainly focused on examining the touching points between adjacent minibands. For the zero-energy touching points the dispersion relation derived shows a Dirac-like double-cone shape with the group velocity which is periodic in the potential strength P with the period of π and becomes anisotropic at relatively large P. From the finite-energy touching points we have identified those located at zero wave-number. It was shown that for these finite-energy touching points the dispersion is direction-dependent in the sense that it is linear or parabolic in the direction parallel or perpendicular to the superlattice direction, respectively. We have also calculated the density of states and the conductivity which demonstrates a manifestation of the touching points examined. (paper)

Energy of the 4(+) isomer and new bands in the odd-odd nucleus 74Br

International Nuclear Information System (INIS)

Doering, J.; Holcomb, J.W.; Johnson, T.D.; Riley, M.A.; Tabor, S.L.; Womble, P.C.; Winter, G.

1993-01-01

High-spin states of the odd-odd nucleus 74 Br were investigated via the reactions 58 Ni ( 19 F,2pn) 74 Br and 65 Cu( 12 C,3n) 74 Br at beam energies of 62 and 50 MeV, respectively. On the basis of coincidence data new levels have been introduced and partly grouped into rotational bands. Some of these new states decay to known levels of negative-parity bands built on both the ground state and the long-lived 4 (+) isomer. Thus, an excitation energy of 13.8 keV has been deduced for the long-lived isomer in 74 Br. The level sequences observed are interpreted in terms of Nilsson configurations in conjunction with collective excitations

Investigation of level energies and B(E2) values for rotation-aligned bands in Hg isotopes

International Nuclear Information System (INIS)

Mertin, D.; Tischler, R.; Kleinrahm, A.; Kroth, R.; Huebel, H.; Guenther, C.

1978-01-01

High spin states in 191 192 193 195 197 199 Hg were investigated by observing γ-rays and conversion electrons in the compound reactions 192 194 198 Pt(α,xn) and 192 Pt ( 3 He,4n). In 197 Hg the decoupled band built on the 13/2 + state and the semi-decoupled negative-parity band are observed up to Isup(π)=41/2 + and 33/2 - , respectively. A careful investigation of 199 Hg revealed no new high spin states above the previously known levels with Isup(π)=25/2 + and 31/2 - . Half-lives were determined for the 10 + , 7 - , 8 - and 16 - states in 192 Hg, the 33/2 states in 191 193 Hg and the 25/2 - states in 191 193 195 197 Hg. The systematics of the level energies and B(E2) values for the positive parity ground and 13/2 + bands and the negative-parity semi-decoupled bands in 190-200 Hg is discussed. (Auth.)

State-to-state photodissociation dynamics of triatomic molecules: H2O in the B band

International Nuclear Information System (INIS)

Jiang Bin; Xie Daiqian; Guo Hua

2012-01-01

State-to-state photodissociation dynamics of H 2 O in its B band has been investigated quantum mechanically on a new set of non-adiabatically coupled potential energy surfaces for the lowest two 1 A' states of H 2 O, which are developed at the internally contracted multi-reference configuration interaction level with the aug-cc-pVQZ basis set. Quantum dynamical calculations carried out using the Chebyshev propagator yield absorption spectra, product state distributions, branching ratios, and differential cross sections, which are in reasonably good agreement with the latest experimental results. Particular focus is placed here on the dependence of various dynamical observables on the photon energy. Detailed analyses of the dynamics have assigned the diffuse structure in absorption spectrum to short-time recurring dynamics near the HOH conical intersection. The non-adiabatic dissociation to the ground state OH product via the HOH conical intersection is facile, direct, fast, and produces rotationally hot OH(X-tilde) products. On the other hand, the adiabatic channel on the excited state leading to the OH(A-tilde) product is dominated by long-lived resonances, which depend sensitively on the potential energy surfaces.

Dirac Cones, Topological Edge States, and Nontrivial Flat Bands in Two-Dimensional Semiconductors with a Honeycomb Nanogeometry

Directory of Open Access Journals (Sweden)

E. Kalesaki

2014-01-01

Full Text Available We study theoretically two-dimensional single-crystalline sheets of semiconductors that form a honeycomb lattice with a period below 10 nm. These systems could combine the usual semiconductor properties with Dirac bands. Using atomistic tight-binding calculations, we show that both the atomic lattice and the overall geometry influence the band structure, revealing materials with unusual electronic properties. In rocksalt Pb chalcogenides, the expected Dirac-type features are clouded by a complex band structure. However, in the case of zinc-blende Cd-chalcogenide semiconductors, the honeycomb nanogeometry leads to rich band structures, including, in the conduction band, Dirac cones at two distinct energies and nontrivial flat bands and, in the valence band, topological edge states. These edge states are present in several electronic gaps opened in the valence band by the spin-orbit coupling and the quantum confinement in the honeycomb geometry. The lowest Dirac conduction band has S-orbital character and is equivalent to the π-π^{⋆} band of graphene but with renormalized couplings. The conduction bands higher in energy have no counterpart in graphene; they combine a Dirac cone and flat bands because of their P-orbital character. We show that the width of the Dirac bands varies between tens and hundreds of meV. These systems emerge as remarkable platforms for studying complex electronic phases starting from conventional semiconductors. Recent advancements in colloidal chemistry indicate that these materials can be synthesized from semiconductor nanocrystals.

Energy band dispersion in photoemission spectra of argon clusters

International Nuclear Information System (INIS)

Foerstel, Marko; Mucke, Melanie; Arion, Tiberiu; Lischke, Toralf; Barth, Silko; Ulrich, Volker; Ohrwall, Gunnar; Bjoerneholm, Olle; Hergenhahn, Uwe; Bradshaw, Alex M.

2011-01-01

Using photoemission we have investigated free argon clusters from a supersonic nozzle expansion in the photon energy range from threshold up to 28 eV. Measurements were performed both at high resolution with a hemispherical electrostatic energy analyser and at lower resolution with a magnetic bottle device. The latter experiments were performed for various mean cluster sizes. In addition to the ∼1.5 eV broad 3p-derived valence band seen in previous work, there is a sharper feature at ∼15 eV binding energy. Surprisingly for non-oriented clusters, this peak shifts smoothly in binding energy over the narrow photon energy range 15.5-17.7 eV, indicating energy band dispersion. The onset of this bulk band-like behaviour could be determined from the cluster size dependence.

Emergent low-energy bound states in the two-orbital Hubbard model

Science.gov (United States)

Núñez-Fernández, Y.; Kotliar, G.; Hallberg, K.

2018-03-01

A repulsive Coulomb interaction between electrons in different orbitals in correlated materials can give rise to bound quasiparticle states. We study the nonhybridized two-orbital Hubbard model with intra- (inter)orbital interaction U (U12) and different bandwidths using an improved dynamical mean-field theory numerical technique which leads to reliable spectra on the real energy axis directly at zero temperature. We find that a finite density of states at the Fermi energy in one band is correlated with the emergence of well-defined quasiparticle states at excited energies Δ =U -U12 in the other band. These excitations are interband holon-doublon bound states. At the symmetric point U =U12 , the quasiparticle peaks are located at the Fermi energy, leading to a simultaneous and continuous Mott transition settling a long-standing controversy.

Primary transitions between the yrast superdeformed band and low-lying normal deformed states in {sup 194}Pb

Energy Technology Data Exchange (ETDEWEB)

Hauschild, K.; Bernstein, L.A.; Becker, J.A. [Lawrence Livermore National Lab., CA (United States)] [and others

1996-12-31

The observation of one-step `primary` gamma-ray transitions directly linking the superdeformed (SD) states to the normal deformed (ND) low-lying states of known excitation energies (E{sub x}), spins and parities (J{sup {pi}}) is crucial to determining the E{sub x} and J{sup {pi}} of the SD states. With this knowledge one can begin to address some of the outstanding problems associated with SD nuclei, such as the identical band issue, and one can also place more stringent restrictions on theoretical calculations which predict SD states and their properties. Brinkman, et al., used the early implementation of the GAMMASPHERE spectrometer array (32 detectors) and proposed a single, candidate {gamma} ray linking the {sup 194}Pb yrast SD band to the low-lying ND states in {sup 194}Pb. Using 55 detectors in the GAMMASPHERE array Khoo, et al., observed multiple links between the yrast SD band in {sup 194}Hg and the low-lying level scheme and conclusively determined E{sub x} and J of the yrast SD states. Here the authors report on an experiment in which Gammasphere with 88 detectors was used and the E{sub x} and J{sup {pi}} values of the yrast SD states in {sup 194}Pb were uniquely determined. Twelve one-step linking transitions between the yrast SD band and low-lying states in {sup 194}Pb have been identified, including the transition proposed by Brinkman. These transitions have been placed in the level scheme of {sup 194}Pb using coincidence relationships and agreements between the energies of the primary transitions and the energy differences in level spacings. Furthermore, measurements of angular asymmetries have yielded the multipolarities of the primaries which have allowed J{sup {pi}} assignments of the {sup 194}Pb SD states to be unambiguously determined for the first time without a priori assumptions about the character of SD bands. A study performed in parallel to this work using the EUROGAM-II array reports similar, but somewhat less extensive, results.

NiTi shape memory via solid-state nudge-elastic band

Science.gov (United States)

Zarkevich, Nikolai A.; Johnson, Duane D.

2014-03-01

We determine atomic mechanisms of the shape memory effect in NiTi from a generalized solid-state nudge elastic band (SSNEB) method. We consider transformation between the austenite B2 and the ground-state base-centered orthorhombic (BCO) structures. In these pathways we obtain the R-phase and discuss its structure. We confirm that BCO is the ground state, and determine the pathways to BCO martensite, which dictate transition barriers. While ideal B2 is unstable, we find a B2-like NiTi high-temperature solid phase with significant local displacement disorder, which is B2 on average. This B2-like phase appears to be entropically stabilized. This work is supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Science and Engineering. Ames Laboratory is operated for the U.S. DOE by Iowa State University under contract DE-AC02-07CH11358.

Systematic study of β-band and correlation with g- band using power law and soft rotor formula

International Nuclear Information System (INIS)

Katoch, Vikas; Kaushik, Reetu; Sharma, S.; Gupta, J.B.

2014-01-01

The nuclear structure of even Z even N medium mass transitional nuclei consist of ground state band, K π =0 1 β-band, K π =2 1 γ- band and other higher bands. As we move away from closed shell, energy levels are low lying from spherical to deformed nuclei and energy deviated from ideal rotor behavior. The energy of these transitional nuclei in ground band can also be studied using Bohr Mottelson energy expression, Soft Rotor Formula (SRF), Power Law (PL) etc. Recently, Gupta et al. (2013) modified SRF for non zero band head K π =2 1 γ-band and reproduced the level energies. Here same formula applied for K π =0 1 β-band and the level energies are reproduced and compared with experimental energies. The power law is also used for recalculation of level energies and for useful comparison

Satellite bands of the RbCs molecule in the range of highly excited states

Energy Technology Data Exchange (ETDEWEB)

Rakić, Mario; Beuc, Robert; Skenderović, Hrvoje, E-mail: hrvoje@ifs.hr [Institute of Physics, Bijenička cesta 46, Zagreb 10000 (Croatia); Bouloufa-Maafa, Nadia; Dulieu, Olivier; Vexiau, Romain [Laboratoire Aimé Cotton, CNRS, Université Paris-Sud, ENS Cachan, Université Paris-Saclay, Bât. 505, Campus d’Orsay, Orsay Cedex 91405 (France); Pichler, Goran [Physics Department, Kuwait University, PO Box 5969, Safat—13060 (Kuwait)

2016-05-28

We report on the observation of three RbCs satellite bands in the blue and green ranges of the visible spectrum. Absorption measurements are performed using all-sapphire cell filled with a mixture of Rb and Cs. We compare high resolution absorption spectrum of Rb-Cs vapor mixture with pure Rb and Cs vapor spectra from the literature. After detailed analysis, the new satellite bands of RbCs molecule at 418.3 nm, 468.3, and 527.5 nm are identified. The origin of these bands is discussed by direct comparison with difference potentials derived from quantum chemistry calculations of RbCs potential energy curves. These bands originate from the lower Rydberg states of the RbCs molecule. This study thus provides further insight into photoassociation of lower Rydberg molecular states, approximately between Cs(7s) + Rb(5s) and Cs(6s) + Rb(6p) asymptotes, in ultracold gases.

Energy Impacts of Wide Band Gap Semiconductors in U.S. Light-Duty Electric Vehicle Fleet.

Science.gov (United States)

Warren, Joshua A; Riddle, Matthew E; Graziano, Diane J; Das, Sujit; Upadhyayula, Venkata K K; Masanet, Eric; Cresko, Joe

2015-09-01

Silicon carbide and gallium nitride, two leading wide band gap semiconductors with significant potential in electric vehicle power electronics, are examined from a life cycle energy perspective and compared with incumbent silicon in U.S. light-duty electric vehicle fleet. Cradle-to-gate, silicon carbide is estimated to require more than twice the energy as silicon. However, the magnitude of vehicle use phase fuel savings potential is comparatively several orders of magnitude higher than the marginal increase in cradle-to-gate energy. Gallium nitride cradle-to-gate energy requirements are estimated to be similar to silicon, with use phase savings potential similar to or exceeding that of silicon carbide. Potential energy reductions in the United States vehicle fleet are examined through several scenarios that consider the market adoption potential of electric vehicles themselves, as well as the market adoption potential of wide band gap semiconductors in electric vehicles. For the 2015-2050 time frame, cumulative energy savings associated with the deployment of wide band gap semiconductors are estimated to range from 2-20 billion GJ depending on market adoption dynamics.

Interpolation of band-limited discrete-time signals by minimising out-of-band energy

NARCIS (Netherlands)

Janssen, A.J.E.M.; Vries, L.B.

1984-01-01

An interpolation method for restoring burst errors in discrete—time, band—limited signals is presented. The restoration is such that the restored signal has minimal out—of—band energy. The filter coefficients depend Only on the burst length and on the size of the band to which the signal is assumed

Magnetron based high energy S-band linac system

International Nuclear Information System (INIS)

Tiwari, T.; Krishnan, R.; Phatangare, Manoj

2012-01-01

This paper deals with the study of magnetron based high energy S-band linear accelerator (linac) system operating at spot frequency 2.998 GHz. The energy and dose are two important parameters of linac system which depend on input power of microwave source and length of linac tube. Here the author has studied how these parameters can be improved for side coupled standing wave S-band linac system

Experimental study of energy harvesting in UHF band

International Nuclear Information System (INIS)

Bernacki, Ł; Gozdur, R; Salamon, N

2016-01-01

A huge progress of down-sizing technology together with trend of decreasing power consumption and, on the other hand, increasing efficiency of electronics give the opportunity to design and to implement the energy harvesters as main power sources. This paper refers to the energy that can be harvested from electromagnetic field in the unlicensed frequency bands. The paper contains description of the most popular techniques and transducers that can be applied in energy harvesting domain. The overview of current research and commercial solutions was performed for bands in ultra-high frequency range, which are unlicensed and where transmission is not limited by administrative arrangements. During the experiments with Powercast’s receiver, the same bands as sources of electromagnetic field were taken into account. This power source is used for conducting radio-communication process and excess energy could be used for powering the extra electronic circuits. The paper presents elaborated prototype of energy harvesting system and the measurements of power harvested in ultra-high frequency range. The evaluation of RF energy harvesters for powering ultra-low power (ULP) electronic devices was performed based on survey and results of the experiments. (paper)

Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State.

Science.gov (United States)

Lim, A; Foulkes, W M C; Horsfield, A P; Mason, D R; Schleife, A; Draeger, E W; Correa, A A

2016-01-29

We use time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy from 1 eV to 100 keV moving through the host. Electronic stopping is found to be significant below the threshold velocity normally identified with transitions across the band gap. A structured crossover at low velocity exists in place of a hard threshold. An analysis of the time dependence of the transition rates using coupled linear rate equations enables one of the excitation mechanisms to be clearly identified: a defect state induced in the gap by the moving ion acts like an elevator and carries electrons across the band gap.

Quantitative analysis on electric dipole energy in Rashba band splitting.

Science.gov (United States)

Hong, Jisook; Rhim, Jun-Won; Kim, Changyoung; Ryong Park, Seung; Hoon Shim, Ji

2015-09-01

We report on quantitative comparison between the electric dipole energy and the Rashba band splitting in model systems of Bi and Sb triangular monolayers under a perpendicular electric field. We used both first-principles and tight binding calculations on p-orbitals with spin-orbit coupling. First-principles calculation shows Rashba band splitting in both systems. It also shows asymmetric charge distributions in the Rashba split bands which are induced by the orbital angular momentum. We calculated the electric dipole energies from coupling of the asymmetric charge distribution and external electric field, and compared it to the Rashba splitting. Remarkably, the total split energy is found to come mostly from the difference in the electric dipole energy for both Bi and Sb systems. A perturbative approach for long wave length limit starting from tight binding calculation also supports that the Rashba band splitting originates mostly from the electric dipole energy difference in the strong atomic spin-orbit coupling regime.

Band-Structure of Thallium by the LMTO Method

DEFF Research Database (Denmark)

Holtham, P. M.; Jan, J. P.; Skriver, Hans Lomholt

1977-01-01

by an energy gap. The 6d and 7s bands were found to be far above the Fermi level and the 5d states were found to be far below it. Fermi surface properties and the electronic specific heat are computed and compared with experiment. The joint density of states has also been computed and is in reasonable...... and p bands for the HCP structure. Energy bands have been evaluated both with and without spin-orbit coupling which is particularly large in thallium. Energy bands close to the Fermi level were found to be mainly 6p like in character. The 6s states lay below the 6p bands and were separated from them......The relativistic band structure of thallium has been calculated using the linear muffin-tin orbital (LMTO) method. The positions and extents of the bands were found to follow the Wigner-Seitz rule approximately, and the origin of the dispersion of the bands was established from the canonical s...

The effect of density-of-state tails on band-to-band tunneling: Theory and application to tunnel field effect transistors

Science.gov (United States)

Sant, S.; Schenk, A.

2017-10-01

It is demonstrated how band tail states in the semiconductor influence the performance of a Tunnel Field Effect Transistor (TFET). As a consequence of the smoothened density of states (DOS) around the band edges, the energetic overlap of conduction and valence band states occurs gradually at the onset of band-to-band tunneling (BTBT), thus degrading the sub-threshold swing (SS) of the TFET. The effect of the band tail states on the current-voltage characteristics is modelled quantum-mechanically based on the idea of zero-phonon trap-assisted tunneling between band and tail states. The latter are assumed to arise from a 3-dimensional pseudo-delta potential proposed by Vinogradov [1]. This model potential allows the derivation of analytical expressions for the generation rate covering the whole range from very strong to very weak localization of the tail states. Comparison with direct BTBT in the one-band effective mass approximation reveals the essential features of tail-to-band tunneling. Furthermore, an analytical solution for the problem of tunneling from continuum states of the disturbed DOS to states in the opposite band is found, and the differences to direct BTBT are worked out. Based on the analytical expressions, a semi-classical model is implemented in a commercial device simulator which involves numerical integration along the tunnel paths. The impact of the tail states on the device performance is analyzed for a nanowire Gate-All-Around TFET. The simulations show that tail states notably impact the transfer characteristics of a TFET. It is found that exponentially decaying band tails result in a stronger degradation of the SS than tail states with a Gaussian decay of their density. The developed model allows more realistic simulations of TFETs including their non-idealities.

A Combined Theoretical and Experimental View on Valence and Conduction Band Densities of States of Lead Halide Perovskites

Science.gov (United States)

Kronik, Leeor; Endres, James; Egger, David A.; Kulbak, Michael; Kerner, Ross A.; Zhao, Lianfeng; Silver, Scott H.; Hodes, Gary; Rand, Barry P.; Cahen, David; Kahn, Antoine

We present results for the valence and conduction band density of states (DOS), measured via ultraviolet and inverse photoemission spectroscopies for three lead halide perovskites. Specifically, the DOS of MAPbI3, MAPbBr3, and CsPbBr3, grown on different substrates, are compared. Theoretical DOS, calculated via hybrid density functional theory and including spin-orbit coupling, are compared to experimental data. The agreement between experiment and theory, obtained after correcting the latter for quantitative discrepancies, leads to the identification of valence and conduction band spectral features. In particular, this comparison allows for precise determination of the energy position of the band edges, namely ionization energies and electron affinities of these materials. We find an unusually low DOS at the valence band maximum (VBM) of these systems, which confirms and generalizes previous findings of strong band dispersion and low DOS at the VBM of MAPbI3. This calls for special attention when using electron spectroscopy to determine the frontier electronic states of lead halide perovskites.

Calculation of Energy Diagram of Asymmetric Graded-Band-Gap Semiconductor Superlattices.

Science.gov (United States)

Monastyrskii, Liubomyr S; Sokolovskii, Bogdan S; Alekseichyk, Mariya P

2017-12-01

The paper theoretically investigates the peculiarities of energy diagram of asymmetric graded-band-gap superlattices with linear coordinate dependences of band gap and electron affinity. For calculating the energy diagram of asymmetric graded-band-gap superlattices, linearized Poisson's equation has been solved for the two layers forming a period of the superlattice. The obtained coordinate dependences of edges of the conduction and valence bands demonstrate substantial transformation of the shape of the energy diagram at changing the period of the lattice and the ratio of width of the adjacent layers. The most marked changes in the energy diagram take place when the period of lattice is comparable with the Debye screening length. In the case when the lattice period is much smaller that the Debye screening length, the energy diagram has the shape of a sawtooth-like pattern.

Coexistence of spherical states with deformed and superdeformed bands in doubly magic 40Ca; A shell model challenge

International Nuclear Information System (INIS)

Caurier, E.; Nowacki, F.; Menendez, J.; Poves, A.

2007-02-01

Large scale shell model calculations, with dimensions reaching 10 9 , are carried out to describe the recently observed deformed (ND) and superdeformed (SD) bands based on the first and second excited 0 + states of 40 Ca at 3.35 MeV and 5.21 MeV respectively. A valence space comprising two major oscillator shells, sd and pf, can accommodate most of the relevant degrees of freedom of this problem. The ND band is dominated by configurations with four particles promoted to the pf-shell (4p-4h in short). The SD band by 8p-8h configurations. The ground state of 40 Ca is strongly correlated, but the closed shell still amounts to 65%. The energies of the bands are very well reproduced by the calculations. The out-band transitions connecting the SD band with other states are very small and depend on the details of the mixing among the different np-nh configurations, in spite of that, the calculation describes them reasonably. For the in-band transition probabilities along the SD band, we predict a fairly constant transition quadrupole moment Q 0 (t) ∼ 70 e fm 2 up to J=10, that decreases toward the higher spins. We submit also that the J=8 states of the deformed and superdeformed band are maximally mixed. (authors)

Coexistence of spherical states with deformed and superdeformed bands in doubly magic 40Ca: A shell-model challenge

International Nuclear Information System (INIS)

Caurier, E.; Nowacki, F.; Menendez, J.; Poves, A.

2007-01-01

Large-scale shell-model calculations, with dimensions reaching 10 9 , are carried out to describe the recently observed deformed (ND) and superdeformed (SD) bands based on the first and second excited 0 + states of 40 Ca at 3.35 and 5.21 MeV, respectively. A valence space comprising two major oscillator shells, sd and pf, can accommodate most of the relevant degrees of freedom of this problem. The ND band is dominated by configurations with four particles promoted to the pf shell (4p-4h in short). The SD band by 8p-8h configurations. The ground state of 40 Ca is strongly correlated, but the closed shell still amounts to 65%. The energies of the bands are very well reproduced by the calculations. The out-band transitions connecting the SD band with other states are very small and depend on the details of the mixing among the different np-nh configurations; in spite of that, the calculation describes them reasonably. For the in-band transition probabilities along the SD band, we predict a fairly constant transition quadrupole moment Q 0 (t)∼170 e fm 2 up to J=10 that decreases toward the higher spins. We submit also that the J=8 states of the deformed and superdeformed bands are maximally mixed

Tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge

Energy Technology Data Exchange (ETDEWEB)

Inaoka, Takeshi, E-mail: inaoka@phys.u-ryukyu.ac.jp; Furukawa, Takuro; Toma, Ryo; Yanagisawa, Susumu [Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, 1 Senbaru, Nishihara, Okinawa 903-0213 (Japan)

2015-09-14

By means of a hybrid density-functional method, we investigate the tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge. We consider [001], [111], and [110] uniaxial tensility and (001), (111), and (110) biaxial tensility. Under the condition of no normal stress, we determine both normal compression and internal strain, namely, relative displacement of two atoms in the primitive unit cell, by minimizing the total energy. We identify those strain types which can induce the band-gap transition, and evaluate the critical strain coefficient where the gap transition occurs. Either normal compression or internal strain operates unfavorably to induce the gap transition, which raises the critical strain coefficient or even blocks the transition. We also examine how each type of tensile strain decreases the band-gap energy, depending on its orientation. Our analysis clearly shows that synergistic operation of strain orientation and band anisotropy has a great influence on the gap transition and the gap energy.

Quasiparticle band gap of organic-inorganic hybrid perovskites: Crystal structure, spin-orbit coupling, and self-energy effects

Science.gov (United States)

Gao, Weiwei; Gao, Xiang; Abtew, Tesfaye A.; Sun, Yi-Yang; Zhang, Shengbai; Zhang, Peihong

2016-02-01

The quasiparticle band gap is one of the most important materials properties for photovoltaic applications. Often the band gap of a photovoltaic material is determined (and can be controlled) by various factors, complicating predictive materials optimization. An in-depth understanding of how these factors affect the size of the gap will provide valuable guidance for new materials discovery. Here we report a comprehensive investigation on the band gap formation mechanism in organic-inorganic hybrid perovskites by decoupling various contributing factors which ultimately determine their electronic structure and quasiparticle band gap. Major factors, namely, quasiparticle self-energy, spin-orbit coupling, and structural distortions due to the presence of organic molecules, and their influences on the quasiparticle band structure of organic-inorganic hybrid perovskites are illustrated. We find that although methylammonium cations do not contribute directly to the electronic states near band edges, they play an important role in defining the band gap by introducing structural distortions and controlling the overall lattice constants. The spin-orbit coupling effects drastically reduce the electron and hole effective masses in these systems, which is beneficial for high carrier mobilities and small exciton binding energies.

First-principles determination of band-to-band electronic transition energies in cubic and hexagonal AlGaInN alloys

Directory of Open Access Journals (Sweden)

F. L. Freitas

2016-08-01

Full Text Available We provide approximate quasiparticle-corrected band gap energies for quaternary cubic and hexagonal AlxGayIn1–x–yN semiconductor alloys, employing a cluster expansion method to account for the inherent statistical disorder of the system. Calculated values are compared with photoluminescence measurements and discussed within the currently accepted model of emission in these materials by carrier localization. It is shown that bowing parameters are larger in the cubic phase, while the range of band gap variation is bigger in the hexagonal one. Experimentally determined transition energies are mostly consistent with band-to-band excitations.

First-principles determination of band-to-band electronic transition energies in cubic and hexagonal AlGaInN alloys

Energy Technology Data Exchange (ETDEWEB)

Freitas, F. L., E-mail: felipelopesfreitas@gmail.com; Marques, M.; Teles, L. K. [Grupo de Materiais Semicondutores e Nanotecnologia, Instituto Tecnológico de Aeronáutica, 12228-900 São José dos Campos, SP (Brazil)

2016-08-15

We provide approximate quasiparticle-corrected band gap energies for quaternary cubic and hexagonal Al{sub x}Ga{sub y}In{sub 1–x–y}N semiconductor alloys, employing a cluster expansion method to account for the inherent statistical disorder of the system. Calculated values are compared with photoluminescence measurements and discussed within the currently accepted model of emission in these materials by carrier localization. It is shown that bowing parameters are larger in the cubic phase, while the range of band gap variation is bigger in the hexagonal one. Experimentally determined transition energies are mostly consistent with band-to-band excitations.

Baseline brain energy supports the state of consciousness.

Science.gov (United States)

Shulman, Robert G; Hyder, Fahmeed; Rothman, Douglas L

2009-07-07

An individual, human or animal, is defined to be in a conscious state empirically by the behavioral ability to respond meaningfully to stimuli, whereas the loss of consciousness is defined by unresponsiveness. PET measurements of glucose or oxygen consumption show a widespread approximately 45% reduction in cerebral energy consumption with anesthesia-induced loss of consciousness. Because baseline brain energy consumption has been shown by (13)C magnetic resonance spectroscopy to be almost exclusively dedicated to neuronal signaling, we propose that the high level of brain energy is a necessary property of the conscious state. Two additional neuronal properties of the conscious state change with anesthesia. The delocalized fMRI activity patterns in rat brain during sensory stimulation at a higher energy state (close to the awake) collapse to a contralateral somatosensory response at lower energy state (deep anesthesia). Firing rates of an ensemble of neurons in the rat somatosensory cortex shift from the gamma-band range (20-40 Hz) at higher energy state to energy state. With the conscious state defined by the individual's behavior and maintained by high cerebral energy, measurable properties of that state are the widespread fMRI patterns and high frequency neuronal activity, both of which support the extensive interregional communication characteristic of consciousness. This usage of high brain energies when the person is in the "state" of consciousness differs from most studies, which attend the smaller energy increments observed during the stimulations that form the "contents" of that state.

Surface Resonance Bands on (001)W: Experimental Dispersion Relations

DEFF Research Database (Denmark)

Willis, R. F.; Feuerbacher, B.; Christensen, N. Egede

1977-01-01

A band of unbound surface states (resonances), located in an energy region above the vacuum threshold corresponding to an energy band gap in the electron states of the bulk crystal, has been observed by angle-resolved secondary-electron-emission spectroscopy. The experimental dispersion behavior...... is in agreement with the two-dimensional band structure of a clean (001)W surface recently proposed by Smith and Mittheiss....

On minimal energy Hartree-Fock states for the 2DEG at fractional fillings

International Nuclear Information System (INIS)

Cabo Montes Oca, A. de.

1995-08-01

Approximate minimal energy solutions of the previously discussed general class of Hartree-Fock (HF) states of the 2DEG at 1/3 and 2/3 filling factors are determined. Their selfenergy spectrum is evaluated. Wannier states associated to the filled Bloch states are introduced in a lattice having three flux quanta per cell. They allow to rewrite approximately the ν = 1/3 HF Hamiltonian as sum of three independent tight-binding model Hamiltonians, one describing the dynamics in the band of occupied states and the other ones in the tow bands of excited states. The magnitude of the hopping integral indicates the enhanced role which should have the correlation energy in the present situation with respect to the case of the Yoshioka and Lee second order energy calculation for the lowest energy HF state. Finally, the discussion also suggests the Wannier function, which spreads an electron into a three quanta area, as a physical model for the composite fermion mean field one particle state. (author). 11 refs, 5 figs

Crystal structure and energy band and optical properties of phosphate Sr3P4O13

International Nuclear Information System (INIS)

Zhang, Y.-C.; Cheng, W.-D.; Wu, D.-S.; Zhang, H.; Chen, D.-G.; Gong, Y.-J.; Kan, Z.-G.

2004-01-01

A single crystal of the compound Sr 3 P 4 O 13 has been found and the crystal structure has been characterized by means of single crystal X-ray diffraction analysis. The compound crystallizes in triclinic system and belongs to space group P1-bar. It builds up from SrO 7 polyhedra and P 4 O 13 -6 anions and has a layered structure, and the Sr atoms are located in the interlayer space. The absorption and luminescence spectrum of Sr 3 P 4 O 13 microcrystals have been measured. The calculated results of crystal energy band structure by the DFT show that the solid state of Sr 3 P 4 O 13 is an isolator with direct band gap. The calculated total and partial density of states indicate that the top valence bands are contributions from P 3p and O 2p states and low conduction bands mostly originate from Sr atomic states. The calculated optical response functions expect that the Sr 3 P 4 O 13 is a low refractive index, and it is possible that the Sr 3 P 4 O 13 is used to make transparent material between the UV and FR light zone

Calculation of Energy Band Diagram of a Photoelectrochemical Water Splitting Cell

OpenAIRE

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

2014-01-01

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

Vibrational effects on surface energies and band gaps in hexagonal and cubic ice

International Nuclear Information System (INIS)

Engel, Edgar A.; Needs, Richard J.; Monserrat, Bartomeu

2016-01-01

Surface energies of hexagonal and cubic water ice are calculated using first-principles quantum mechanical methods, including an accurate description of anharmonic nuclear vibrations. We consider two proton-orderings of the hexagonal and cubic ice basal surfaces and three proton-orderings of hexagonal ice prism surfaces, finding that vibrations reduce the surface energies by more than 10%. We compare our vibrational densities of states to recent sum frequency generation absorption measurements and identify surface proton-orderings of experimental ice samples and the origins of characteristic absorption peaks. We also calculate zero point quantum vibrational corrections to the surface electronic band gaps, which range from −1.2 eV for the cubic ice basal surface up to −1.4 eV for the hexagonal ice prism surface. The vibrational corrections to the surface band gaps are up to 12% smaller than for bulk ice.

Dipole bands in high spin states of {sub 57}{sup 135}La{sub 78}

Energy Technology Data Exchange (ETDEWEB)

Garg, Ritika; Kumar, S.; Saxena, Mansi; Goyal, Savi; Siwal, Davinder; Verma, S.; Mandal, S. [Department of Physics and Astrophysics, University of Delhi, Delhi - 110007 (India); Palit, R.; Saha, Sudipta; Sethi, J.; Sharma, Sushil K.; Trivedi, T.; Jadav, S. K.; Donthi, R.; Naidu, B. S. [Department of Nuclear and Atomic Physics, Tata Institute of Fundamental Research, Mumbai - 400005 (India)

2014-08-14

High spin states of {sup 135}La have been investigated using the reaction {sup 128}Te({sup 11}B,4n){sup 135}La at a beam energy of 50.5 MeV. Two negative parity dipole bands (ΔI = 1) have been established. Crossover E2 transitions have been observed for the first time in one of the dipole bands. For the Tilted Axis Cranking (TAC) calculations, a three-quasiparticle (3qp) configuration π(h{sub 11/2}){sup 1}⊗ν(h{sub 11/2}){sup −2} and a five-quasiparticle (5qp) configuration π(h{sub 11/2}){sup 1}(g{sub 7/2}/d{sub 5/2}){sup 2}⊗ν(h{sub 11/2}){sup −2} have been taken for the two negative parity dipole bands. The comparison of experimental observables with TAC calculations supports the configuration assignments for both the dipole bands.

Contributions of oxygen vacancies and titanium interstitials to band-gap states of reduced titania

Science.gov (United States)

Li, Jingfeng; Lazzari, Rémi; Chenot, Stéphane; Jupille, Jacques

2018-01-01

The spectroscopic fingerprints of the point defects of titanium dioxide remain highly controversial. Seemingly indisputable experiments lead to conflicting conclusions in which oxygen vacancies and titanium interstitials are alternately referred to as the primary origin of the Ti 3 d band-gap states. We report on experiments performed by electron energy loss spectroscopy whose key is the direct annealing of only the very surface of rutile TiO2(110 ) crystals and the simultaneous measurement of its temperature via the Bose-Einstein loss/gain ratio. By surface preparations involving reactions with oxygen and water vapor, in particular, under electron irradiation, vacancy- and interstitial-related band-gap states are singled out. Off-specular measurements reveal that both types of defects contribute to a unique charge distribution that peaks in subsurface layers with a common dispersive behavior.

Improved cache performance in Monte Carlo transport calculations using energy banding

Science.gov (United States)

Siegel, A.; Smith, K.; Felker, K.; Romano, P.; Forget, B.; Beckman, P.

2014-04-01

We present an energy banding algorithm for Monte Carlo (MC) neutral particle transport simulations which depend on large cross section lookup tables. In MC codes, read-only cross section data tables are accessed frequently, exhibit poor locality, and are typically too much large to fit in fast memory. Thus, performance is often limited by long latencies to RAM, or by off-node communication latencies when the data footprint is very large and must be decomposed on a distributed memory machine. The proposed energy banding algorithm allows maximal temporal reuse of data in band sizes that can flexibly accommodate different architectural features. The energy banding algorithm is general and has a number of benefits compared to the traditional approach. In the present analysis we explore its potential to achieve improvements in time-to-solution on modern cache-based architectures.

Energy band alignment of antiferroelectric (Pb,La)(Zr,Sn,Ti)O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Klein, Andreas, E-mail: aklein@surface.tu-darmstadt.de [Technische Universität Darmstadt, Institute of Materials Science, Surface Science Division, Jovanka-Bontschits-Straße 2, 64287 Darmstadt (Germany); Lohaus, Christian [Technische Universität Darmstadt, Institute of Materials Science, Surface Science Division, Jovanka-Bontschits-Straße 2, 64287 Darmstadt (Germany); Reiser, Patrick [Technische Universität Darmstadt, Institute of Materials Science, Surface Science Division, Jovanka-Bontschits-Straße 2, 64287 Darmstadt (Germany); InnovationLab GmbH, Speyerer Straße 4, 69115 Heidelberg (Germany); Dimesso, Lucangelo [Technische Universität Darmstadt, Institute of Materials Science, Surface Science Division, Jovanka-Bontschits-Straße 2, 64287 Darmstadt (Germany); Wang, Xiucai; Yang, Tongqing [Tongji University, Key Laboratory of Advanced Civil Engineering Materials (Ministry of Education), Functional Materials Research Laboratory, College of Materials Science and Engineering, Cao’an Road 4800, Shanghai 201804 (China)

2017-06-15

Highlights: • Energy band alignment of antiferroelectric PLZST studied by XPS. • A deconvolution procedure is applied to study band alignment of insulating materials. • Contribution of Pb 6s orbitals leads to higher valence band maximum. • Ferroelectric polarization does not contribute to valence band maximum energy. • The variation of Schottky barrier heights indicates no Fermi level pinning in PLZST. - Abstract: The energy band alignment of antiferroelectric (Pb,La)(Zr,Sn,Ti)O{sub 3} is studied with photoelectron spectroscopy using interfaces with high work function RuO{sub 2} and low work function Sn-doped In{sub 2}O{sub 3} (ITO). It is demonstrated how spectral deconvolution can be used to determine absolute Schottky barrier heights for insulating materials with a high accuracy. Using this approach it is found that the valence band maximum energy of (Pb,La)(Zr,Sn,Ti)O{sub 3} is found to be comparable to that of Pb- and Bi-containing ferroelectric materials, which is ∼1 eV higher than that of BaTiO{sub 3}. The results provide additional evidence for the occupation of the 6s orbitals as origin of the higher valence band maximum, which is directly related to the electrical properties of such compounds. The results also verify that the energy band alignment determined by photoelectron spectroscopy of as-deposited electrodes is not influenced by polarisation. The electronic structure of (Pb,La)(Zr,Sn,Ti)O{sub 3} should enable doping of the material without strongly modifying its insulating properties, which is crucial for high energy density capacitors. Moreover, the position of the energy bands should result in a great freedom of selecting electrode materials in terms of avoiding charge injection.

Warm-Up Activities of Middle and High School Band Directors Participating in State-Level Concert Band Assessments

Science.gov (United States)

Ward, Justin P.; Hancock, Carl B.

2016-01-01

The purpose of this study was to examine the warm-ups chosen by concert band directors participating in state-level performance assessments. We observed 29 middle and high school bands and coded the frequency and duration of warm-up activities and behaviors. Results indicated that most bands rehearsed music and played scales, long tones, and…

Electronic energy states of HfSe/sub 2/ and NbSe/sub 2/ by low energy electron loss spectroscopy study

Energy Technology Data Exchange (ETDEWEB)

Ito, T; Iwami, M; Hiraki, A [Osaka Univ., Suita (Japan). Faculty of Engineering

1981-06-01

Low energy electron loss spectroscopy (ELS) study was performed on 1T-HfSe/sub 2/ (group IVB metal compound) and 2H-NbSe/sub 2/ (group VB metal compound) by using incident electron energies of 30-250 eV. From the loss data in the second derivative form, maxima in density-of-states in the conduction band of the compounds were deduced through the information on the filled core states by X-ray photoelectron spectroscopy. The conduction band of the transition-metal dichalcogenides could be divided into two parts. The results are discussed in relation to the previous work on WS/sub 2/ (group VIB metal compound), and also to proposals based on band calculations and experimental studies on the transition-metal dichalcogenides with constituent metals of group IVB, VB and VIB.

Positron and electron energy bands in several ionic crystals using restricted Hartree-Fock method

Science.gov (United States)

Kunz, A. B.; Waber, J. T.

1981-08-01

Using a restricted Hartree-Fock formalism and suitably localized and symmetrized wave functions, both the positron and electron energy bands were calculated for NaF, MgO and NiO. The lowest positron state at Γ 1 lies above the vacuum level and negative work functions are predicted. Positron annihilation rates were calculated and found to be in good agreement with measured lifetimes.

Collective states in 230Th: band structure

Directory of Open Access Journals (Sweden)

A. I. Levon

2009-12-01

Full Text Available Experimental data for the excited states in the deformed nucleus 230Th studied in the (p, t reaction are analyzed. Sequences of the states are selected which can be treated as rotational bands and as multiplets of excitations. Experimental data are compared with the interacting boson model (IBM and the quasiparticle-phonon model (QPM calculations.

Effective Ginzburg–Landau free energy functional for multi-band isotropic superconductors

International Nuclear Information System (INIS)

Grigorishin, Konstantin V.

2016-01-01

Highlights: • The intergradient coupling of order parameters in a two-band superconductor plays important role and cannot be neglected. • A two-band superconductor must be characterized with a single coherence length and a single Ginzburg–Landau parameter. • Type-1.5 superconductors are impossible. • The free energy functional for a multi-band superconductor can be reduced to the effective single-band Ginzburg–Landau functional. - Abstract: It has been shown that interband mixing of gradients of two order parameters (drag effect) in an isotropic bulk two-band superconductor plays important role – such a quantity of the intergradients coupling exists that the two-band superconductor is characterized with a single coherence length and a single Ginzburg–Landau (GL) parameter. Other quantities or neglecting of the drag effect lead to existence of two coherence lengths and dynamical instability due to violation of the phase relations between the order parameters. Thus so-called type-1.5 superconductors are impossible. An approximate method for solving of set of GL equations for a multi-band superconductor has been developed: using the result about the drag effect it has been shown that the free-energy functional for a multi-band superconductor can be reduced to the GL functional for an effective single-band superconductor.

S-band 300 W pulsed solid state microwave amplifier development for driving high power klystrons for electron accelerators

International Nuclear Information System (INIS)

Mohania, Praveen; Shrivastava, Purushottam; Hannurkar, P.R.

2005-01-01

S-Band Microwave electron accelerators like microtrons and linear accelerators need pulsed microwaves from few megawatts to tens of megawatts to accelerator the electrons to desired energy and intensity. Klystron tube based driver amplifiers were used to drive the high power klystrons, which need microwave power from few tens of watts to 1 kW depending on tube output power and gain. A endeavour was initiated at Centre for Advanced Technology to develop state of art solid state S-band microwave amplifiers indigenously to drive the klystron tubes. A modular design approach was used and individual modules up to 160 W power levels were developed and tested. Finally combining 160 W modules will give up to 300 W output power. Several more modules can be combined to achieve even high power levels. Present paper describes the developmental efforts of 300 W S-band solid-state amplifiers and related microwave technologies. (author)

Energy bands and gaps near an impurity

Czech Academy of Sciences Publication Activity Database

Mihóková, Eva; Schulman, L. S.

2016-01-01

Roč. 380, č. 41 (2016), s. 3430-3433 ISSN 0375-9601 R&D Projects: GA ČR GA13-09876S Institutional support: RVO:68378271 Keywords : crystal structure * impurity * modeling * energy bands Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.772, year: 2016

Vacuum energy referred Ti3+/4+ donor/acceptor states in insulating and semiconducting inorganic compounds

International Nuclear Information System (INIS)

Rogers, E.G.; Dorenbos, P.

2014-01-01

Optical spectroscopy data has been collected on the energy needed for electron transfer from the valence band to Ti 4+ in about 40 different insulating and II–VI and III–V semiconducting compounds. It provides a measure for the location of the Ti 3+ 3d 1 ground state level above the valence band. This is combined with the vacuum referred binding energy (VRBE) of valence band electrons as obtained with the chemical shift model based on lanthanide impurity spectroscopy. It provides the VRBE of an electron in the Ti 3+ ground state level. This work will first show that the energy of electron transfer to Ti 4+ is about the same as that to Eu 3+ irrespective of the type of compound. Next it will be shown that the VRBE of the Ti 3+ 3d 1 ground state is always near −4 eV. An approximately ±1 eV spread around that value is attributed to the crystal field splitting of the Ti 3+ 3d-levels. - Highlights: • Data on the energy of charge transfer (CT) to Ti 4+ in 38 compounds was collected. • A correlation between the Ti 4+ and Eu 3+ CT energies has been established. • The chemical shift model has been applied to Ti impurity states. • The Ti 3+ ground state binding energy is always around −4±1 eV

Computational Design of Flat-Band Material

Science.gov (United States)

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

2018-02-01

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

Influence of energy bands on the Hall effect in degenerate semiconductors

International Nuclear Information System (INIS)

Wu, Chhi-Chong; Tsai, Jensan

1989-01-01

The influence of energy bands on the Hall effect and transverse magnetoresistance has been investigated according to the scattering processes of carriers in degenerate semiconductors such as InSb. Results show that the Hall angle, Hall coefficient, and transverse magnetoresistance depend on the dc magnetic field for both parabolic and nonparabolic band structures of semiconductors and also depend on the scattering processes of carriers in semiconductors due to the energy-dependent relaxation time. From their numerical analysis for the Hall effect, it is shown that the conduction electrons in degenerate semiconductors play a major role for the carrier transport phenomenon. By comparing with experimental data of the transverse magnetoresistance, it shows that the nonparabolic band model is better in agreement with the experimental work than the parabolic band model of semiconductors

Ground-State Band and Deformation of the Z = 102 Isotope N 254

International Nuclear Information System (INIS)

Reiter, P.; Khoo, T.L.; Lister, C.J.; Seweryniak, D.; Ahmad, I.; Alcorta, M.; Carpenter, M.P.; Cizewski, J.A.; Davids, C.N.; Gervais, G.; Greene, J.P.; Henning, W.F.; Janssens, R.V.; Lauritsen, T.; Siem, S.; Sonzogni, A.A.; Sullivan, D.; Uusitalo, J.; Wiedenhoever, I.; Amzal, N.; Butler, P.A.; Chewter, A.J.; Greenlees, P.T.; Herzberg, R.; Jones, G.D.; Cizewski, J.A.; Ding, K.Y.; Fotiades, N.; Fox, J.D.; Korten, W.; Leino, M.; Vetter, K.; Siem, S.

1999-01-01

The ground-state band of the Z=102 isotope 254 No has been identified up to spin 14, indicating that the nucleus is deformed. The deduced quadrupole deformation, β=0.27 , is in agreement with theoretical predictions. These observations confirm that the shell-correction energy responsible for the stability of transfermium nuclei is partly derived from deformation. The survival of 254 No up to spin 14 means that its fission barrier persists at least up to that spin. copyright 1999 The American Physical Society

Symmetry conditions of a nodal superconductor for generating robust flat-band Andreev bound states at its dirty surface

Science.gov (United States)

Ikegaya, Satoshi; Kobayashi, Shingo; Asano, Yasuhiro

2018-05-01

We discuss the symmetry property of a nodal superconductor that hosts robust flat-band zero-energy states at its surface under potential disorder. Such robust zero-energy states are known to induce the anomalous proximity effect in a dirty normal metal attached to a superconductor. A recent study has shown that a topological index NZES describes the number of zero-energy states at the dirty surface of a p -wave superconductor. We generalize the theory to clarify the conditions required for a superconductor that enables NZES≠0 . Our results show that NZES≠0 is realized in a topological material that belongs to either the BDI or CII class. We also present two realistic Hamiltonians that result in NZES≠0 .

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

Science.gov (United States)

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

2015-11-26

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

Energy shift and conduction-to-valence band transition mediated by a time-dependent potential barrier in graphene

Science.gov (United States)

Chaves, Andrey; da Costa, D. R.; de Sousa, G. O.; Pereira, J. M.; Farias, G. A.

2015-09-01

We investigate the scattering of a wave packet describing low-energy electrons in graphene by a time-dependent finite-step potential barrier. Our results demonstrate that, after Klein tunneling through the barrier, the electron acquires an extra energy which depends on the rate of change of the barrier height with time. If this rate is negative, the electron loses energy and ends up as a valence band state after leaving the barrier, which effectively behaves as a positively charged quasiparticle.

A simplified approach to the band gap correction of defect formation energies: Al, Ga, and In-doped ZnO

Science.gov (United States)

Saniz, R.; Xu, Y.; Matsubara, M.; Amini, M. N.; Dixit, H.; Lamoen, D.; Partoens, B.

2013-01-01

The calculation of defect levels in semiconductors within a density functional theory approach suffers greatly from the band gap problem. We propose a band gap correction scheme that is based on the separation of energy differences in electron addition and relaxation energies. We show that it can predict defect levels with a reasonable accuracy, particularly in the case of defects with conduction band character, and yet is simple and computationally economical. We apply this method to ZnO doped with group III elements (Al, Ga, In). As expected from experiment, the results indicate that Zn substitutional doping is preferred over interstitial doping in Al, Ga, and In-doped ZnO, under both zinc-rich and oxygen-rich conditions. Further, all three dopants act as shallow donors, with the +1 charge state having the most advantageous formation energy. Also, doping effects on the electronic structure of ZnO are sufficiently mild so as to affect little the fundamental band gap and lowest conduction bands dispersion, which secures their n-type transparent conducting behavior. A comparison with the extrapolation method based on LDA+U calculations and with the Heyd-Scuseria-Ernzerhof hybrid functional (HSE) shows the reliability of the proposed scheme in predicting the thermodynamic transition levels in shallow donor systems.

Quasi-bound states in continuum

International Nuclear Information System (INIS)

Nakamura, Hiroaki; Hatano, Naomichi; Garmon, Sterling; Petrosky, Tomio

2007-08-01

We report the prediction of quasi-bound states (resonant states with very long lifetimes) that occur in the eigenvalue continuum of propagating states for a wide region of parameter space. These quasi-bound states are generated in a quantum wire with two channels and an adatom, when the energy bands of the two channels overlap. A would-be bound state that lays just below the upper energy band is slightly destabilized by the lower energy band and thereby becomes a resonant state with a very long lifetime (a second QBIC lays above the lower energy band). (author)

The use of bulk states to accelerate the band edge state calculation of a semiconductor quantum dot

International Nuclear Information System (INIS)

Voemel, Christof; Tomov, Stanimire Z.; Wang, Lin-Wang; Marques, Osni A.; Dongarra, Jack J.

2007-01-01

We present a new technique to accelerate the convergence of the folded spectrum method in empirical pseudopotential band edge state calculations for colloidal quantum dots. We use bulk band states of the materials constituent of the quantum dot to construct initial vectors and a preconditioner. We apply these to accelerate the convergence of the folded spectrum method for the interior states at the top of the valence and the bottom of the conduction band. For large CdSe quantum dots, the number of iteration steps until convergence decreases by about a factor of 4 compared to previous calculations

Solid-State Powered X-band Accelerator

Energy Technology Data Exchange (ETDEWEB)

Othman, Mohamed A.K. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Nann, Emilio A. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Dolgashev, Valery A. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Tantawi, Sami [SLAC National Accelerator Lab., Menlo Park, CA (United States); Neilson, Jeff [SLAC National Accelerator Lab., Menlo Park, CA (United States)

2017-03-06

In this report we disseminate the hot test results of an X-band 100-W solid state amplifier chain for linear accelerator (linac) applications. Solid state power amplifiers have become increasingly attractive solutions for achieving high power in radar and maritime applications. Here the performance of solid state amplifiers when driving an RF cavity is investigated. Commercially available, matched and fully-packaged GaN on SiC HEMTs are utilized, comprising a wideband driver stage and two power stages. The amplifier chain has a high poweradded- efficiency and is able to supply up to ~1.2 MV/m field gradient at 9.2 GHz in a simple test cavity, with a peak power exceeding 100 W. These findings set forth the enabling technology for solid-state powered linacs.

Calcium doped MAPbI3 with better energy state alignment in perovskite solar cells

Science.gov (United States)

Lu, Chaojie; Zhang, Jing; Hou, Dagang; Gan, Xinlei; Sun, Hongrui; Zeng, Zhaobing; Chen, Renjie; Tian, Hui; Xiong, Qi; Zhang, Ying; Li, Yuanyuan; Zhu, Yuejin

2018-05-01

The organic-inorganic perovskite material with better energy alignment in the solar cell device will have a profound impact on the solar cell performance. It is valuable to tune the energy states by element substitution and doping in perovskites. Here, we present that Ca2+ is incorporated into CH3NH3PbI3, which up-shifts the valence band maximum and the conduction band minimum, leading to a difference between the bandgap and the Fermi level in the device. Consequently, Ca2+ incorporation results in an enhancement of the photovoltage and photocurrent, achieving a summit efficiency of 18.3% under standard 1 sun (AM 1.5). This work reveals the doped perovskite to improve the solar cell performance by tuning the energy state.

B(M1) values in the band-crossing of shears bands in 197Pb

Science.gov (United States)

Krücken, R.; Cooper, J. R.; Beausang, C. W.; Novak, J. R.; Dewald, A.; Klug, T.; Kemper, G.; von Brentano, P.; Carpenter, M.; Wiedenhöver, I.

We present details of the band crossing mechanism of shears bands using the example of 197Pb. Absolute reduced matrix elements B(M1) were determined by means of a RDM lifetime measurement in one of the shears bands in 197Pb. The experiment was performed using the New Yale Plunger Device (NYPD) in conjunction with the Gammasphere array. Band mixing calculations on the basis of the semi-classical model of the shears mechanism are used to describe the transition matrix elements B(M1) and energies throughout the band-crossing regions. Good agreement with the data was obtained and the detailed composition of the states in the shears band are discussed.

State Counting for Excited Bands of the Fractional Quantum Hall Effect: Exclusion Rules for Bound Excitons

Science.gov (United States)

Coimbatore Balram, Ajit; Wójs, Arkadiusz; Jain, Jainendra

2014-03-01

Exact diagonalization studies have revealed that the energy spectrum of interacting electrons in the lowest Landau level splits, non-perturbatively, into bands. The theory of nearly free composite fermions (CFs) has been shown to be valid for the lowest band, and thus to capture the low temperature physics, but it over-predicts the number of states for the excited bands. We explain the state counting of higher bands in terms of composite fermions with an infinitely strong short range interaction between a CF particle and a CF hole. This interaction, the form of which we derive from the microscopic CF theory, eliminates configurations containing certain tightly bound CF excitons. With this modification, the CF theory reproduces, for all well-defined excited bands, an exact counting for ν > 1 / 3 , and an almost exact counting for ν The resulting insight clarifies that the corrections to the nearly free CF theory are not thermodynamically significant at sufficiently low temperatures, thus providing a microscopic explanation for why it has proved successful for the analysis of the various properties of the CF Fermi sea. NSF grants DMR-1005536 and DMR-0820404, Polish NCN grant 2011/01/B/ST3/04504 and EU Marie Curie Grant PCIG09-GA-2011-294186, Research Computing and Cyberinfrastructure, PSU and Wroclaw Centre for Networking and Supercomputing

CZTS stoichiometry effects on the band gap energy

International Nuclear Information System (INIS)

Malerba, Claudia; Biccari, Francesco; Azanza Ricardo, Cristy Leonor; Valentini, Matteo; Chierchia, Rosa; Müller, Melanie; Santoni, Antonino; Esposito, Emilia; Mangiapane, Pietro; Scardi, Paolo; Mittiga, Alberto

2014-01-01

Highlights: • CZTS films with different compositions were grown from stacked-layer precursors. • The band-gap energy varies from 1.48 to 1.63 eV as the [Sn]/[Cu] ratio increases. • The Zn content seems not to be a critical parameter for the optical properties. • PDS data show an increase of the sub-gap absorption as the Sn content is reduced. • Formation of defects at low Sn content was proposed to explain the Eg variation. -- Abstract: The considerable spread of Cu 2 ZnSnS 4 (CZTS) optical properties reported in the literature is discussed in terms of material stoichiometry. To this purpose, kesterite thin films were prepared by sulfurization of multilayered precursors of ZnS, Cu and Sn, changing the relative amounts to obtain CZTS layers with different compositions. X-Ray Diffraction (XRD), Energy Dispersive X-Ray (EDX) spectroscopy, X-Ray Photoelectron Spectroscopy (XPS) and Raman spectroscopy were used for structural and compositional analysis. XRD quantitative phase analysis provides the amount of spurious phases and information on Sn-site occupancy. The optical properties were investigated by spectrophotometric and Photothermal Deflection Spectroscopy (PDS) measurements to assess the absorption coefficient of samples with different compositions. The PDS data show an increase of the sub-band absorption as the Sn content decreases. The results are interpreted assuming the formation of additional defects as the tin content is reduced. Those defects can also be responsible for the decrease of the band gap energy value as the Sn/Cu ratio is decreased

Role of the Band Gap for the Interaction Energy of Coadsorbed Fragments

DEFF Research Database (Denmark)

Castelli, Ivano Eligio; Man, Isabela-Costinela; Soriga, Stefan-Gabriel

2017-01-01

on semiconductors. We propose here a correlation between the cooperative interaction energy, i.e., the energy difference between the adsorption energies of coadsorbed electron donor–acceptor pair and isolated fragments and the band gap of the clean oxide surface. We demonstrate this effect for a number of oxides...... and donor–acceptor pairs and explain it with the shift in the Fermi level before and after the adsorption. The conclusion is that the adsorption of acceptor–donor pairs is considerably more favorable compared to unpaired fragments,and this energy difference is approximately equal to the value of the band...

Electron correlations in narrow band systems

International Nuclear Information System (INIS)

Kishore, R.

1983-01-01

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

Trap density of states in n-channel organic transistors: variable temperature characteristics and band transport

International Nuclear Information System (INIS)

Cho, Joung-min; Akiyama, Yuto; Kakinuma, Tomoyuki; Mori, Takehiko

2013-01-01

We have investigated trap density of states (trap DOS) in n-channel organic field-effect transistors based on N,N ’-bis(cyclohexyl)naphthalene diimide (Cy-NDI) and dimethyldicyanoquinonediimine (DMDCNQI). A new method is proposed to extract trap DOS from the Arrhenius plot of the temperature-dependent transconductance. Double exponential trap DOS are observed, in which Cy-NDI has considerable deep states, by contrast, DMDCNQI has substantial tail states. In addition, numerical simulation of the transistor characteristics has been conducted by assuming an exponential trap distribution and the interface approximation. Temperature dependence of transfer characteristics are well reproduced only using several parameters, and the trap DOS obtained from the simulated characteristics are in good agreement with the assumed trap DOS, indicating that our analysis is self-consistent. Although the experimentally obtained Meyer-Neldel temperature is related to the trap distribution width, the simulation satisfies the Meyer-Neldel rule only very phenomenologically. The simulation also reveals that the subthreshold swing is not always a good indicator of the total trap amount, because it also largely depends on the trap distribution width. Finally, band transport is explored from the simulation having a small number of traps. A crossing point of the transfer curves and negative activation energy above a certain gate voltage are observed in the simulated characteristics, where the critical V G above which band transport is realized is determined by the sum of the trapped and free charge states below the conduction band edge

Resting-state theta-band connectivity and verbal memory in schizophrenia and in the high-risk state.

Science.gov (United States)

Andreou, Christina; Leicht, Gregor; Nolte, Guido; Polomac, Nenad; Moritz, Steffen; Karow, Anne; Hanganu-Opatz, Ileana L; Engel, Andreas K; Mulert, Christoph

2015-02-01

Disturbed functional connectivity is assumed to underlie neurocognitive deficits in patients with schizophrenia. As neurocognitive deficits are already present in the high-risk state, identification of the neural networks involved in this core feature of schizophrenia is essential to our understanding of the disorder. Resting-state studies enable such investigations, while at the same time avoiding the known confounder of impaired task performance in patients. The aim of the present study was to investigate EEG resting-state connectivity in high-risk individuals (HR) compared to first episode patients with schizophrenia (SZ) and to healthy controls (HC), and its association with cognitive deficits. 64-channel resting-state EEG recordings (eyes closed) were obtained for 28 HR, 19 stable SZ, and 23 HC, matched for age, education, and parental education. The imaginary coherence-based multivariate interaction measure (MIM) was used as a measure of connectivity across 80 cortical regions and six frequency bands. Mean connectivity at each region was compared across groups using the non-parametric randomization approach. Additionally, the network-based statistic was applied to identify affected networks in patients. SZ displayed increased theta-band resting-state MIM connectivity across midline, sensorimotor, orbitofrontal regions and the left temporoparietal junction. HR displayed intermediate theta-band connectivity patterns that did not differ from either SZ or HC. Mean theta-band connectivity within the above network partially mediated verbal memory deficits in SZ and HR. Aberrant theta-band connectivity may represent a trait characteristic of schizophrenia associated with neurocognitive deficits. As such, it might constitute a promising target for novel treatment applications. Copyright © 2014 Elsevier B.V. All rights reserved.

Decay of superdeformed bands

International Nuclear Information System (INIS)

Carpenter, M.P.; Khoo, T.L.; Lauritsen, T.

1995-01-01

One of the major challenges in the study of superdeformation is to directly connect the large number of superdeformed bands now known to the yrast states. In this way, excitation energies, spins and parities can be assigned to the levels in the second well which is essential to establish the collective and single-particle components of these bands. This paper will review some of the progress which has been made to understand the decay of superdeformed bands using the new arrays including the measurement of the total decay spectrum and the establishment of direct one-step decays from the superdeformed band to the yrast line in 194 Hg. 42 refs., 5 figs

Structure of dipole bands in 106In

International Nuclear Information System (INIS)

Deo, A. Y.; Palit, R.; Naik, Z.; Joshi, P. K.; Mazumdar, I.; Sihotra, S.; Mehta, D.; Kumar, S.; Chakrabarti, R.; Kshetri, R.; Jain, H. C.

2009-01-01

High spin states in neutron-deficient 106 In were investigated using 78 Se( 32 S,p3n) reaction at 125 MeV. The level scheme is extended up to 7 MeV of excitation energy for the negative parity states constituting four dipole bands, and the positive parity states which mainly exhibit single-particle excitations are extended up to 5 MeV. Projected deformed Hartree-Fock calculations were carried out to understand the configurations of different bands in this nucleus.

Mixed State of a Dirty Two-Band Superconductor: Application to MgB2

NARCIS (Netherlands)

Koshelev, A.E.; Golubov, Alexandre Avraamovitch

2003-01-01

We investigate the vortex state in a two-band superconductor with strong intraband and weak interband electronic scattering rates. Coupled Usadel equations are solved numerically, and the distributions of the pair potentials and local densities of states are calculated for two bands at different

CdSe/CdTe interface band gaps and band offsets calculated using spin-orbit and self-energy corrections

Energy Technology Data Exchange (ETDEWEB)

Ribeiro, M. [Centro de Pesquisas Avancadas Wernher von Braun, Av. Alice de Castro P.N. Mattosinho 301, CEP 13098-392 Campinas, SP (Brazil); Ferreira, L.G. [Departamento de Fisica dos Materiais e Mecanica, Instituto de Fisica, Universidade de Sao Paulo, 05315-970 Sao Paulo, SP (Brazil); Fonseca, L.R.C. [Center for Semiconductor Components, State University of Campinas, R. Pandia Calogeras 90, 13083-870 Campinas, SP (Brazil); Ramprasad, R. [Department of Chemical, Materials and Biomolecular Engineering, Institute of Materials Science, University of Connecticut, 97 North Eagleville Road, Storrs, CT 06269 (United States)

2012-09-20

We performed ab initio calculations of the electronic structures of bulk CdSe and CdTe, and their interface band alignments on the CdSe in-plane lattice parameters. For this, we employed the LDA-1/2 self-energy correction scheme to obtain corrected band gaps and band offsets. Our calculations include the spin-orbit effects for the bulk cases, which have shown to be of importance for the equilibrium systems and are possibly degraded in these strained semiconductors. Therefore, the SO showed reduced importance for the band alignment of this particular system. Moreover, the electronic structure calculated along the transition region across the CdSe/CdTe interface shows an interesting non-monotonic variation of the band gap in the range 0.8-1.8 eV, which may enhance the absorption of light for corresponding frequencies at the interface between these two materials in photovoltaic applications.

Fully inkjet printed wide band cantor fractal antenna for RF energy harvesting application

KAUST Repository

Bakytbekov, Azamat

2017-06-07

Energy harvesting from ambient RF signals is feasible, particularly from the GSM bands such as 900MHz, 1800MHz and the 3G band at 2.1GHz. This requires a wideband receive antenna which can cover all these bands with decent gain performance and an omnidirectional radiation pattern. In this work, a novel Cantor fractal antenna has been designed which fulfills the above mentioned performance requirements. Antenna has been realized through a combination of 3D inkjet printing of plastic substrate and 2D inkjet printing of metallic nanoparticles based ink. The stable impedance and radiation performance of the antenna over a bandwidth of 0.8GHz to 2.2GHz (93 %) shows the feasibility of its employment in wide band energy harvesting applications.

Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

International Nuclear Information System (INIS)

Vos, M.; Marmitt, G. G.; Finkelstein, Y.; Moreh, R.

2015-01-01

Reflection electron energy loss spectra from some insulating materials (CaCO 3 , Li 2 CO 3 , and SiO 2 ) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO 2 , good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E gap ) 1.5 . For CaCO 3 , the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li 2 CO 3 (7.5 eV) is the first experimental estimate

Lifetimes of the low spin states in the superdeformed band of {sup 192}Hg

Energy Technology Data Exchange (ETDEWEB)

Lee, I Y; Baktash, C; Cullen, D; Garrett, J D; Johnson, N R; McGowan, F K; Winchell, D F [Oak Ridge National Lab., TN (United States); Yu, C H [Tennessee Univ., Knoxville, TN (United States)

1992-08-01

Superdeformed (SD) states with a 2:1 axis ratio have been observed in nuclei in the A = 150, 190, and the actinide regions. These states depopulate into normally deformed (ND) states by gamma decay, but so far the linking transitions have not been observed and the depopulation mechanism is not fully understood. Nuclei in different mass regions decay out at states with different spin (I), excitation energy above the ND yrast line (U) and lifetime {tau}. This variation is due to differences in the nuclear properties such as the barrier penetration probability, the level densities and the gamma transition strength of SD and ND states. One important factor is the competition between the collective E2 decay along the SD band and the statistical decay to the ND states. These transition rates, or the partial lifetimes, can be determined if the lifetime and the intensity of the gamma rays depopulating the SD states are known. (author). 4 refs., 2 tabs., 2 figs.

Investigation of an energy-gap model for photoacoustic O2A-band spectra: H2O calibration near 7180 cm−1

International Nuclear Information System (INIS)

Vess, E.M.; Anderson, C.N.; Awadalla, V.E.; Estes, E.J.; Jeon, C.; Wallace, C.J.; Hu, X.F.; Havey, D.K.

2012-01-01

Highlights: ► We investigate an energy transfer model for photoacoustic measurements of the O 2 A-band. ► We measure the response of a photoacoustic spectrometer for known quantities of H 2 O and O 2 . ► We fit multiple theoretical spectral line profiles to the data. ► We bind the relative uncertainty of the energy transfer model to less than 1%. ► We demonstrate that speed-dependence is an important line shape effect for these experiments. - Abstract: A photoacoustic spectrometer is used to evaluate the accuracy of an energy-gap model for collisional energy transfer. For photoacoustic measurements involving the b 1 Σ g + ←X 3 Σ g - transition of molecular oxygen the conversion of photon energy to thermal energy is inefficient and proceeds through the a 1 Δ g state. This results in attenuation of the photoacoustic signal. The magnitude of the attenuation can be predicted with an energy-gap model whose accuracy has been previously confirmed to within 3 ± 5%. However, this prior result does not rule out incomplete rotational relaxation of O 2 in the a 1 Δ g state. In this study, high-resolution spectra of H 2 O in air are used to calibrate the photoacoustic spectrometer. This work binds the relative uncertainty in the energy-gap relaxation factor for O 2 A-band photoacoustic signals to be approximately 1%. During one acoustic cycle, this result implies negligible collisional relaxation to the X 3 Σ g - state of O 2 and nearly complete collisional relaxation to the a 1 Δ g state.

Band structure in 83Rb from lifetime measurements

International Nuclear Information System (INIS)

Ganguly, S.; Banerjee, P.; Ray, I.; Kshetri, R.; Bhattacharya, S.; Saha-Sarkar, M.; Goswami, A.; Muralithar, S.; Singh, R.P.; Kumar, R.; Bhowmik, R.K.

2006-01-01

Excited states of 83 Rb, populated in the 76 Ge( 11 B,-bar 4nγ) reaction at a beam energy of 50 MeV, have been studied. The unfavoured signature partner (α=-1/2) of the πg 9/2 yrast band is proposed up to an excitation energy of 6669.4 keV and spin (31/2 + ). Lifetimes have been estimated for three states belonging to the favoured α=+1/2 band. The B(E2) values deduced from these lifetimes indicate a moderate quadrupole deformation of β 2 =0.20. Theoretical calculations within the framework of the particle-rotor-model suggest that low energy states before the onset of the νg 9/2 alignment at a rotational frequency of ∼0.5 MeV are prolate while those above this frequency have an oblate shape. The excited ΔI=1 band has been extended up to 5422.7 keV and spin 25/2 - . The B(M1) rates derived from the measured lifetimes decrease with spin. The results are in general agreement with an earlier TAC calculation, suggesting the interpretation of these states as arising from magnetic rotation

Itinerant ferromagnetism in the narrow band limit

CERN Document Server

Liu, S H

2000-01-01

It is shown that in the narrow band, strong interaction limit the paramagnetic state of an itinerant ferromagnet is described by the disordered local moment state. As a result, the Curie temperature is orders of magnitude lower than what is expected from the large exchange splitting of the spin bands. An approximate analysis has also been carried out for the partially ordered state, and the result explains the temperature evolvement of the magnetic contributions to the resistivity and low-energy optical conductivity of CrO sub 2.

Charge Energy Transport in Hopping Systems with Rapidly Decreasing Density of States

Science.gov (United States)

Mendels, Dan; Organic Electronics Group Technion Team

2014-03-01

An accurate description of the carrier hopping topology in the energy domain of hopping systems incorporating a rapidly decreasing density of states and the subsequent energetic position of these systems' so called effective conduction band is crucial for rationalizing and quantifying these systems' thermo-electric properties, doping related phenomena and carrier gradient effects such as the emergence of the General Einstein Relation under degenerate conditions. Additionally, as will be shown, the 'mobile' carriers propagating through the system can have excess energies reaching 0.3eV above the system quasi-Fermi energy. Hence, since these mobile carriers are most prone to reach systems interfaces and interact with oppositely charged carriers, their excess energy should be considered in determining the efficiencies of energy dependent processes such as carrier recombination and exciton dissociation. In light of the stated motivations, a comprehensive numerical and analytical study of the topology of hopping in the energetic density of such systems (i.e. the statistics regarding which energy values carriers visit most and in what manner) was implemented and the main statistical features of the hopping process that determine the position in energy of the system's effective conduction band were distilled. The obtained results also help shed light on yet to be elucidated discrepancies between predictions given by the widely employed transport energy concept and Monte Carlo simulations.

Electron correlations in narrow energy bands: modified polar model approach

Directory of Open Access Journals (Sweden)

L. Didukh

2008-09-01

Full Text Available The electron correlations in narrow energy bands are examined within the framework of the modified form of polar model. This model permits to analyze the effect of strong Coulomb correlation, inter-atomic exchange and correlated hopping of electrons and explain some peculiarities of the properties of narrow-band materials, namely the metal-insulator transition with an increase of temperature, nonlinear concentration dependence of Curie temperature and peculiarities of transport properties of electronic subsystem. Using a variant of generalized Hartree-Fock approximation, the single-electron Green's function and quasi-particle energy spectrum of the model are calculated. Metal-insulator transition with the change of temperature is investigated in a system with correlated hopping. Processes of ferromagnetic ordering stabilization in the system with various forms of electronic DOS are studied. The static conductivity and effective spin-dependent masses of current carriers are calculated as a function of electron concentration at various DOS forms. The correlated hopping is shown to cause the electron-hole asymmetry of transport and ferromagnetic properties of narrow band materials.

Gamma decay and band structures in 46Ti

International Nuclear Information System (INIS)

Dracoulis, G.D.; Radford, D.C.; Poletti, A.R.

1978-03-01

The states of 46 Ti have been studied using the 43 Ca(α,nγ) reaction. The level and decay scheme of 46 Ti was deduced from γ-γ coincidence, γ-ray energy and intensity measurements. Spins are suggested on the basis of the γ-ray angular distribution, supported by relative excitation functions. The ground state band has been extended to spin 10 + , and about 20 new states are observed. Some of these can be grouped into rotational-like bands based on the 3 - state at 3.059 MeV and other excited states

Dipole Bands in 196Hg

International Nuclear Information System (INIS)

Lawrie, J. J.; Lawrie, E. A.; Newman, R. T.; Sharpey-Schafer, J. F.; Smit, F. D.; Msezane, B.; Benatar, M.; Mabala, G. K.; Mutshena, K. P.; Federke, M.; Mullins, S. M.; Ncapayi, N. J.; Vymers, P.

2011-01-01

High spin states in 196 Hg have been populated in the 198 Pt(α,6n) reaction at 65 MeV and the level scheme has been extended. A new dipole band has been observed and a previously observed dipole has been confirmed. Excitation energies, spins and parities of these bands were determined from DCO ratio and linear polarization measurements. Possible quasiparticle excitations responsible for these structures are discussed.

Accurate Energy Consumption Modeling of IEEE 802.15.4e TSCH Using Dual-BandOpenMote Hardware.

Science.gov (United States)

Daneels, Glenn; Municio, Esteban; Van de Velde, Bruno; Ergeerts, Glenn; Weyn, Maarten; Latré, Steven; Famaey, Jeroen

2018-02-02

The Time-Slotted Channel Hopping (TSCH) mode of the IEEE 802.15.4e amendment aims to improve reliability and energy efficiency in industrial and other challenging Internet-of-Things (IoT) environments. This paper presents an accurate and up-to-date energy consumption model for devices using this IEEE 802.15.4e TSCH mode. The model identifies all network-related CPU and radio state changes, thus providing a precise representation of the device behavior and an accurate prediction of its energy consumption. Moreover, energy measurements were performed with a dual-band OpenMote device, running the OpenWSN firmware. This allows the model to be used for devices using 2.4 GHz, as well as 868 MHz. Using these measurements, several network simulations were conducted to observe the TSCH energy consumption effects in end-to-end communication for both frequency bands. Experimental verification of the model shows that it accurately models the consumption for all possible packet sizes and that the calculated consumption on average differs less than 3% from the measured consumption. This deviation includes measurement inaccuracies and the variations of the guard time. As such, the proposed model is very suitable for accurate energy consumption modeling of TSCH networks.

Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

Energy Technology Data Exchange (ETDEWEB)

Vos, M. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Marmitt, G. G. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Instituto de Fisica da Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, 91501-970 Porto Alegre, RS (Brazil); Finkelstein, Y. [Nuclear Research Center — Negev, Beer-Sheva 84190 (Israel); Moreh, R. [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel)

2015-09-14

Reflection electron energy loss spectra from some insulating materials (CaCO{sub 3}, Li{sub 2}CO{sub 3}, and SiO{sub 2}) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO{sub 2}, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E{sub gap}){sup 1.5}. For CaCO{sub 3}, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li{sub 2}CO{sub 3} (7.5 eV) is the first experimental estimate.

Calculations of intersection cross-slip activation energies in fcc metals using nudged elastic band method

International Nuclear Information System (INIS)

Rao, S.I.; Dimiduk, D.M.; Parthasarathy, T.A.; El-Awady, J.; Woodward, C.; Uchic, M.D.

2011-01-01

The nudged elastic band (NEB) method is used to evaluate activation energies for dislocation intersection cross-slip in face-centered cubic (fcc) nickel and copper, to extend our prior work which used an approximate method. In this work we also extend the study by including Hirth locks (HL) in addition to Lomer-Cottrell locks and glide locks (GL). Using atomistic (molecular statics) simulations with embedded atom potentials we evaluated the activation barrier for a dislocation to transform from fully residing on the glide plane to fully residing on the cross-slip plane when intersecting a 120 o forest dislocation in both Ni and Cu. The initial separation between the screw and the intersecting dislocation on the (1 1 1) glide plane is varied to find a minimum in the activation energy. The NEB method gives energies that are ∼10% lower than those reported in our prior work. It is estimated that the activation energies for cross-slip from the fully glide plane state to the partially cross-slipped state at the 120 o intersection forming GL in Ni and Cu are ∼0.47 and ∼0.65 eV, respectively, and from the fully cross-slip plane state to the partially cross-slipped state forming LC are ∼0.68 and ∼0.67 eV. The activation energies for cross-slip from the fully glide plane state to the partially cross-slipped state at the 120 o intersection forming HL in Ni and Cu are estimated to be ∼0.09 and ∼0.31 eV, respectively. These values are a factor of 3-20 lower than the activation energy for bulk cross-slip in Ni and, a factor of 2-6 lower than the activation energy for cross-slip in Cu estimated by Friedel-Escaig analysis. These results suggest that cross-slip should nucleate preferentially at selected screw dislocation intersections in fcc materials and the activation energies for such mechanisms are also a function of stacking fault energy.

Comparison and fit of the two and six band k.p models for the band edge structure of Pbsub(1-x)Snsub(x)Te

International Nuclear Information System (INIS)

Weissman, Y.

1975-10-01

The band edge structure of Pbsub(1-x)Snsub(x)Te is derived in detail using a two band ellipsoidal model and compared with a more rigorous calculation based on six bands. A quantitative comparison is made for two values of the energy gap, corresponding to the cases where x=0 and x=0.17. It was found that, for the occupied states in nondegenerate materials, both models are practically equivalent. Discrepancies may occur only in high degeneracies or deep inversion layers. The agreement between both models was significantly improved by introducing an effective energy gap in the two band model. It is suggested that the use of the effective energy gap may improve the agreement between the two band model and experiment whenever the details of the band edge structure enter the interpretation of the experimental results. (author)

Nontrivial topological states on a Möbius band

NARCIS (Netherlands)

Beugeling, W.; Quelle, A.; Morais Smith, C.

2014-01-01

In the field of topological insulators, the topological properties of quantum states in samples with simple geometries, such as a cylinder or a ribbon, have been classified and understood during the past decade. Here we extend these studies to a Möbius band and argue that its lack of orientability

Band theory of metals the elements

CERN Document Server

Altmann, Simon L

1970-01-01

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

Decay out of the yrast superdeformed band in 191Hg

International Nuclear Information System (INIS)

Sien, S.; Reiter, P.; Khoo, T.; Lauritsen, T.; Carpenter, M. P.; Ahmad, I.; Amro, H.; Calderin, I.; Dossing, T.; Fischer, S. M.; Garg, U.; Gassmann, D.; Hackman, G.; Hannachi, F.; Janssens, R. V. F.; Kharraja, B.; Korichi, A.; Lopez-Martens, A.; Moore, E. F.; Nisius, D.; Schuck, C.

1999-01-01

The excitation energies and spins of the yrast superdeformed band in 191 Hg have been determined by analyzing the quasicontinuum spectrum connecting the superdeformed and normal-deformed states. The results from this analysis, combined with that given by one-step decay lines, give confident assignments of the spins and energies of the yrast superdeformed band in 191 Hg

Nature of the band tails in one-dimensional disordered systems

International Nuclear Information System (INIS)

Brezini, A.; Sebbani, M.; Benkhaled, N.; Depollier, C.; Kergomard, J.

1995-12-01

A theoretical model for the density of states based on a tight-binding scheme for one-dimensional disordered systems is investigated within a self-consistent approach in terms of a probabilistic procedure. In particular an exact analytical expression is worked out for the density of states for the case of a Cauchy distribution for the site energies in the region of localized states. A particular attention is paid to the energies lying in the band tails. It is mainly shown that the band tails are sensitive to the typical nature of the disorder. (author). 35 refs, 1 fig

The behaviour of the moment of inertia curve in a recrossing of the ground state band and the super band in 158Er

International Nuclear Information System (INIS)

Dracoulis, G.D.

1978-11-01

The recrossing of the ground state band with the super band as an explanation for the second anomaly in 158 Er is examined in terms of the moment of inertia. A two band mixing calculation does not reproduce the experimenal moment of inertia curve

Pair Formation of Hard Core Bosons in Flat Band Systems

Science.gov (United States)

Mielke, Andreas

2018-05-01

Hard core bosons in a large class of one or two dimensional flat band systems have an upper critical density, below which the ground states can be described completely. At the critical density, the ground states are Wigner crystals. If one adds a particle to the system at the critical density, the ground state and the low lying multi particle states of the system can be described as a Wigner crystal with an additional pair of particles. The energy band for the pair is separated from the rest of the multi-particle spectrum. The proofs use a Gerschgorin type of argument for block diagonally dominant matrices. In certain one-dimensional or tree-like structures one can show that the pair is localised, for example in the chequerboard chain. For this one-dimensional system with periodic boundary condition the energy band for the pair is flat, the pair is localised.

High resolution spectral analysis of oxygen. IV. Energy levels, partition sums, band constants, RKR potentials, Franck-Condon factors involving the X3Σg−, a1Δg and b1Σg+ states

International Nuclear Information System (INIS)

Yu, Shanshan; Drouin, Brian J.; Miller, Charles E.

2014-01-01

We have updated the isotopically invariant Dunham fit of O 2 with newly reported literature transitions to derive (1) the energy levels, partition sums, band-by-band molecular constants, and RKR potentials for the X 3 Σ g − , a 1 Δ g , and b 1 Σ g + states of the six O 2 isotopologues: 16 O 16 O, 16 O 17 O, 16 O 18 O, 17 O 17 O, 17 O 18 O, and 18 O 18 O; (2) Franck-Condon factors for their a 1 Δ g −X 3 Σ g − , b 1 Σ g + −X 3 Σ g − , and a 1 Δ g −b 1 Σ g + band systems. This new spectroscopic parameterization characterizes all known transitions within and between the X 3 Σ g − , a 1 Δ g , and b 1 Σ g + states within experimental uncertainty and can be used for accurate predictions of as yet unmeasured transitions. All of these results are necessary to provide a consistent linelist of all transitions which will be reported in a followup paper

Valence band structure and density of states effective mass model of biaxial tensile strained silicon based on k · p theory

International Nuclear Information System (INIS)

Kuang Qian-Wei; Liu Hong-Xia; Wang Shu-Long; Qin Shan-Shan; Wang Zhi-Lin

2011-01-01

After constructing a stress and strain model, the valence bands of in-plane biaxial tensile strained Si is calculated by k · p method. In the paper we calculate the accurate anisotropy valance bands and the splitting energy between light and heavy hole bands. The results show that the valance bands are highly distorted, and the anisotropy is more obvious. To obtain the density of states (DOS) effective mass, which is a very important parameter for device modeling, a DOS effective mass model of biaxial tensile strained Si is constructed based on the valance band calculation. This model can be directly used in the device model of metal—oxide semiconductor field effect transistor (MOSFET). It also a provides valuable reference for biaxial tensile strained silicon MOSFET design. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

α+12C rotational bands in 16O

Directory of Open Access Journals (Sweden)

Katsuma M.

2014-03-01

Full Text Available The total quantum number N of the α+12C rotational bands in 16O is determined by a study of α+12C elastic scattering. The 8+ and 9− states are found around the excitation energy Ex = 30 MeV and they are the member of the known rotational bands. At the same time, the 02+ state (Ex = 6.05 MeV is found to be dominated by N = 8.

Relaxation and cross section effects in valence band photoemission spectroscopy

International Nuclear Information System (INIS)

McFeely, F.R.

1976-09-01

Various problems relating to the interpretation of valence band x-ray photoemission (XPS) spectra of solids are discussed. The experiments and calculations reported herein deal with the following questions: (1) To what extent do many-body effects manifest themselves in an XPS valence band spectrum, and thus invalidate a direct comparison between the photoemission energy distribution, I(E), and the density of states, N(E), calculated on the basis of ground-state one-electron theory. (2) The effect of the binding-energy-dependent photoemission cross section on I(E) at XPS energies. (3) In favorable cases indicated by (1) and (2) we examine the effect of the interaction of the crystal field with the apparent spin-orbit splittings of core levels observed in XPS spectra. (4) The use of tight binding band structure calculations to parameterize the electronic band structure from XPS and other data is described. (5) The use of high energy angle-resolved photoemission on oriented single crystals to gain orbital symmetry information is discussed. (6) The evolution of the shape of the photoemission energy distribution (of polycrystalline Cu) as a function of photon energy from 50 less than or equal h ω less than or equal 175 is discussed

Energy gap of extended states in SiC-doped graphene nanoribbon: Ab initio calculations

Energy Technology Data Exchange (ETDEWEB)

Liu, Xiaoshi; Wu, Yong [College of Science, University of Shanghai for Science and Technology, Shanghai 200093 (China); Shanghai Key Lab of Modern Optical System, Shanghai 200093 (China); Li, Zhongyao, E-mail: lizyusst@gmail.com [College of Science, University of Shanghai for Science and Technology, Shanghai 200093 (China); Shanghai Key Lab of Modern Optical System, Shanghai 200093 (China); Gao, Yong [School of Science, Shanghai Second Polytechnic University, Shanghai 201209 (China)

2017-04-01

Highlights: • The gap of isolated ribbon is inversely proportional to the width of ribbon. • The gap of doped ribbon cannot be modeled by effective width approximation. • The fitted energy gap can match the experimental observations. • The doping results in a spin-polarized metallic-like band structure. - Abstract: The energy gap of extended states in zigzag graphene nanoribbons (ZGNRs) was examined on the basis of density-functional theory. In isolated ZGNRs, the energy gap is inversely proportional to the width of ribbon. It agrees well with the results from the Dirac equation in spin-unpolarized ZGNRs, although the considered ZGNRs have spin-polarized edges. However, the energy gap in SiC-doped ZGNRs cannot be modeled by effective width approximation. The doping also lifts the spin-degenerate of edge states and results in a metallic-like band structure near the Fermi level in SiC-doped ZGNRs. Our calculations may be helpful for understanding the origin of the reported single-channel ballistic transport in epitaxial graphene nanoribbons.

High spin rotational bands in Zn

Indian Academy of Sciences (India)

We present here some preliminary results from our studies in the. ~ ¼ region in which we have observed an yrast band structure in Zn extending to spin (41/2 ). ... gaps implies that nuclei may exhibit different shapes at different excitation energies. .... uration, identifying previously unobserved states up to an excitation energy ...

Metal-induced gap states in ferroelectric capacitors and its relationship with complex band structures

Science.gov (United States)

Junquera, Javier; Aguado-Puente, Pablo

2013-03-01

At metal-isulator interfaces, the metallic wave functions with an energy eigenvalue within the band gap decay exponentially inside the dielectric (metal-induced gap states, MIGS). These MIGS can be actually regarded as Bloch functions with an associated complex wave vector. Usually only real values of the wave vectors are discussed in text books, since infinite periodicity is assumed and, in that situation, wave functions growing exponentially in any direction would not be physically valid. However, localized wave functions with an exponential decay are indeed perfectly valid solution of the Schrodinger equation in the presence of defects, surfaces or interfaces. For this reason, properties of MIGS have been typically discussed in terms of the complex band structure of bulk materials. The probable dependence on the interface particulars has been rarely taken into account explicitly due to the difficulties to include them into the model or simulations. We aim to characterize from first-principles simulations the MIGS in realistic ferroelectric capacitors and their connection with the complex band structure of the ferroelectric material. We emphasize the influence of the real interface beyond the complex band structure of bulk materials. Financial support provided by MICINN Grant FIS2009-12721-C04-02, and by the European Union Grant No. CP-FP 228989-2 ``OxIDes''. Computer resources provided by the RES.

Changes in the surface electronic states of semiconductor fine particles induced by high energy ion irradiation

Energy Technology Data Exchange (ETDEWEB)

Yamaki, Tetsuya; Asai, Keisuke; Ishigure, Kenkichi [Tokyo Univ. (Japan); Shibata, Hiromi

1997-03-01

The changes in the surface electronic states of Q-sized semiconductor particles in Langmuir-Blodgett (LB) films, induced by high energy ion irradiation, were examined by observation of ion induced emission and photoluminescence (PL). Various emission bands attributed to different defect sites in the band gap were observed at the initial irradiation stage. As the dose increased, the emissions via the trapping sites decreased in intensity while the band-edge emission developed. This suggests that the ion irradiation would remove almost all the trapping sites in the band gap. The low energy emissions, which show a multiexponential decay, were due to a donor-acceptor recombination between the deeply trapped carriers. It was found that the processes of formation, reaction, and stabilization of the trapping sites would predominantly occur under the photooxidizing conditions. (author)

Intrinsic states and rotational bands in 177Pt

International Nuclear Information System (INIS)

Dracoulis, G.D.; Fabricius, B.; Bark, R.A.; Stuchbery, A.E.; Popescu, D.G.; Kibedi, T.

1989-11-01

The 149 Sm ( 32 S,4n) 177 Pt reaction has been used to populate excited states in the neutron-deficient nucleus 177 Pt. Rotational bands based on intrinsic states assigned to the 1/2-[521], 5/2-[521] and (mixed) 7/2+ [633] Nilsson configurations have been observed. In contrast to the neighbou-ring even isotope 176 Pt, anomalies attributed to shape co-existence at low spin have not been observed. Implications for the deformation of 177 Pt are discussed together with the systematics of intrinsic states in this region, and alignments and other properties of N=99 nuclei. 37 refs., 15 figs., 3 tabs

Optimizing mesoscopic two-band superconductors for observation of fractional vortex states

Energy Technology Data Exchange (ETDEWEB)

Piña, Juan C. [Departamento de Física, Universidade Federal de Pernambuco, Cidade Universitária, 50670-901 Recife, PE (Brazil); Núcleo de Tecnologia, CAA, Universidade Federal de Pernambuco, 55002-970 Caruaru, PE (Brazil); Souza Silva, Clécio C. de, E-mail: clecio@df.ufpe [Departamento de Física, Universidade Federal de Pernambuco, Cidade Universitária, 50670-901 Recife, PE (Brazil); Milošević, Milorad V. [Departamento de Física, Universidade Federal do Ceará, 60455-900 Fortaleza, Ceará (Brazil); Departement Fysica, Universiteit Antwerpen, Groenenborgerlaan 171, B-2020 Antwerpen (Belgium)

2014-08-15

Highlights: • Observation of fractional vortices in two-band superconductors of broad size range. • There is a minimal sample size for observing each particular fractional state. • Optimal value for stability of each fractional state is determined. • A suitable magnetic dot enhances stability even further. - Abstract: Using the two-component Ginzburg–Landau model, we investigate the effect of sample size and magnitude and homogeneity of external magnetic field on the stability of fractional vortex states in a mesoscopic two-band superconducting disk. We found that each fractional state has a preferable sample size, for which the range of applied field in which the state is stable is pronouncedly large. Vice versa, there exists an optimal magnitude of applied field for which a large range of possible sample radii will support the considered fractional state. Finally, we show that the stability of fractional states can be enhanced even further by magnetic nanostructuring of the sample, i.e. by suitably chosen geometrical parameters and magnetic moment of a ferromagnetic dot placed on top of the superconducting disk.

Electronic pairing mechanism due to band modification with increasing pair number

International Nuclear Information System (INIS)

Mizia, J.

1995-01-01

It is shown that a shift of an electron band with electron occupation number n, which is changing during the transition to the superconducting state, can lower the total energy of the system. In fact it will bring a negative contribution to the pairing potential, which is proportional to the product of the electron band shift with occupation number and the charge transfer during the transition to the superconducting state. The shift of the electron band comes from the change of stresses and the change of correlation effects in the CuO 2 plane with n, that in turn is caused by the changing oxygen concentration. This model explains the phenomenological success of Hirsch's model, which gives no explanation how the band shift in energy can give rise to superconductivity. (orig.)

Relativistic Band Calculation and the Optical Properties of Gold

DEFF Research Database (Denmark)

Christensen, N Egede; Seraphin, B. O.

1971-01-01

of magnitude as the gaps (approximately 1 eV). Various integrated functions, density of states, joint density of states, and energy distributions of joint density of states are derived from the RAPW calculation. These functions are used in an interpretation of photoemission and static reflectance measurements......The energy band structure of gold is calculated by the relativistic augmented-plane-wave (RAPW) method. A nonrelativistic calculation is also presented, and a comparison between this and the RAPW results demonstrates that the shifts and splittings due to relativistic effects are of the same order...... to trace out the regions in k→ space where the edge and tail transitions occur. It is demonstrated that structure in the static reflection curves are not related to critical points in the band structure. The arguments are supported by calculations of temperature shifts of the critical-point energies...

Optical density of states in ultradilute GaAsN alloy: Coexistence of free excitons and impurity band of localized and delocalized states

Energy Technology Data Exchange (ETDEWEB)

Bhuyan, Sumi; Pal, Bipul; Bansal, Bhavtosh, E-mail: bhavtosh@iiserkol.ac.in [Indian Institute of Science Education and Research Kolkata, Mohanpur Campus, Nadia 741252, West Bengal (India); Das, Sanat K.; Dhar, Sunanda [Department of Electronic Science, University of Calcutta, 92 A.P.C. Road, Kolkata 700009 (India)

2014-07-14

Optically active states in liquid phase epitaxy-grown ultra-dilute GaAsN are studied. The feature-rich low temperature photoluminescence spectrum has contributions from excitonic band states of the GaAsN alloy, and two types of defect states—localized and extended. The degree of delocalization for extended states both within the conduction and defect bands, characterized by the electron temperature, is found to be similar. The degree of localization in the defect band is analyzed by the strength of the phonon replicas. Stronger emission from these localized states is attributed to their giant oscillator strength.

Identical and shifted identical bands

International Nuclear Information System (INIS)

Dodder, R.S; Jones, E.F.; Hamilton, J.H.

1997-01-01

Spontaneous fission of 252 Cm was studied with 72 large Compton suppressed Ge detectors in Gamma sphere. New isotopes 160 Sm and 162 Gd were identified. Through X-ray-γ and γ-γ-γ) coincidence measurements, level energies were established to spins 14 + to 20 + in 152 , 154 156 60 Nd 92 94 96 , 156 , 158 , 160 62 Sm 94 , 96 , 98 , and 160 , 162 64 Gd 96 , 98 . These nuclei exhibit a remarkable variety of identical bands and bands where the energies and moments of inertia are shifted by the same constant amount for every spin state from 2 + to 12 + for various combinations of nuclei differing by 2n, 4n, 2p, 4p, and α

ENERGY-DEPENDENT POWER SPECTRAL STATES AND ORIGIN OF APERIODIC VARIABILITY IN BLACK HOLE BINARIES

International Nuclear Information System (INIS)

Yu Wenfei; Zhang Wenda

2013-01-01

We found that the black hole candidate MAXI J1659–152 showed distinct power spectra, i.e., power-law noise (PLN) versus band-limited noise (BLN) plus quasi-periodic oscillations (QPOs) below and above about 2 keV, respectively, in observations with Swift and the Rossi X-ray Timing Explorer during the 2010 outburst, indicating a high energy cutoff of the PLN and a low energy cutoff of the BLN and QPOs around 2 keV. The emergence of the PLN and the fading of the BLN and QPOs initially took place below 2 keV when the source entered the hard intermediate state and settled in the soft state three weeks later. The evolution was accompanied by the emergence of the disk spectral component and decreases in the amplitudes of variability in the soft and hard X-ray bands. Our results indicate that the PLN is associated with an optically thick disk in both hard and intermediate states, and the power spectral state is independent of the X-ray energy spectral state in a broadband view. We suggest that in the hard or intermediate state, the BLN and QPOs emerge from the innermost hot flow subjected to Comptonization, while the PLN originates from the optically thick disk farther out. The energy cutoffs of the PLN and the BLN or QPOs then follow the temperature of the seed photons from the inner edge of the optically thick disk, while the high frequency cutoff of the PLN follows the orbital frequency of the inner edge of the optically thick disk as well.

Spectroscopy of 9Be and observation of neutron halo structure in the states of positive parity rotational band

Directory of Open Access Journals (Sweden)

Demyanova A.S.

2014-03-01

Full Text Available The differential cross sections of the 9Be + α inelastic scattering at 30 MeV were measured at the tandem of Tsukuba University. All the known states of 9Be up to energies ~ 12 MeV were observed and decomposed into three rotational bands, each of them having a cluster structure consisting of a 8Be core plus a valence neutron in one of the sub-shells: p3/2−, s1/2+ and p1/2−. Existence of a neutron halo in the positive parity states was confirmed.

Modeling charged defects inside density functional theory band gaps

International Nuclear Information System (INIS)

Schultz, Peter A.; Edwards, Arthur H.

2014-01-01

Density functional theory (DFT) has emerged as an important tool to probe microscopic behavior in materials. The fundamental band gap defines the energy scale for charge transition energy levels of point defects in ionic and covalent materials. The eigenvalue gap between occupied and unoccupied states in conventional DFT, the Kohn–Sham gap, is often half or less of the experimental band gap, seemingly precluding quantitative studies of charged defects. Applying explicit and rigorous control of charge boundary conditions in supercells, we find that calculations of defect energy levels derived from total energy differences give accurate predictions of charge transition energy levels in Si and GaAs, unhampered by a band gap problem. The GaAs system provides a good theoretical laboratory for investigating band gap effects in defect level calculations: depending on the functional and pseudopotential, the Kohn–Sham gap can be as large as 1.1 eV or as small as 0.1 eV. We find that the effective defect band gap, the computed range in defect levels, is mostly insensitive to the Kohn–Sham gap, demonstrating it is often possible to use conventional DFT for quantitative studies of defect chemistry governing interesting materials behavior in semiconductors and oxides despite a band gap problem

Experimental study of ΔI=1 bands in In111

Science.gov (United States)

Banerjee, P.; Ganguly, S.; Pradhan, M. K.; Sharma, H. P.; Muralithar, S.; Singh, R. P.; Bhowmik, R. K.

2011-02-01

The two ΔI=1 bands in In111, built upon the 3461.0 and 4931.8 keV states, have been studied. The bands were populated in the reaction Mo100(F19,α4nγ) at a beam energy of 105 MeV. Mean lifetimes of nine states, four in the first and five in the second band, have been determined for the first time from Doppler shift attenuation data. The deduced B(M1) rates and their behavior as a function of level spin support the interpretation of these bands within the framework of the shears mechanism. The geometrical model of Machiavelli has been used to derive the effective gyromagnetic ratios for the two bands.

Determination of shift in energy of band edges and band gap of ZnSe spherical quantum dot

Science.gov (United States)

Siboh, Dutem; Kalita, Pradip Kumar; Sarma, Jayanta Kumar; Nath, Nayan Mani

2018-04-01

We have determined the quantum confinement induced shifts in energy of band edges and band gap with respect to size of ZnSe spherical quantum dot employing an effective confinement potential model developed in our earlier communication "arXiv:1705.10343". We have also performed phenomenological analysis of our theoretical results in comparison with available experimental data and observe a very good agreement in this regard. Phenomenological success achieved in this regard confirms validity of the confining potential model as well as signifies the capability and applicability of the ansatz for the effective confining potential to have reasonable information in the study of real nano-structured spherical systems.

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

International Nuclear Information System (INIS)

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

1977-01-01

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

Band structure in {sup 83}Rb from lifetime measurements

Energy Technology Data Exchange (ETDEWEB)

Ganguly, S. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Banerjee, P. [Saha Institute of Nuclear Physics, Kolkata 700064 (India)]. E-mail: polash.banerjee@saha.ac.in; Ray, I. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Kshetri, R. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Bhattacharya, S. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Saha-Sarkar, M. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Goswami, A. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Muralithar, S. [Nuclear Science Centre, Post Box 10502, New Delhi 110067 (India); Singh, R.P. [Nuclear Science Centre, Post Box 10502, New Delhi 110067 (India); Kumar, R. [Nuclear Science Centre, Post Box 10502, New Delhi 110067 (India); Bhowmik, R.K. [Nuclear Science Centre, Post Box 10502, New Delhi 110067 (India)

2006-03-20

Excited states of {sup 83}Rb, populated in the {sup 76}Ge({sup 11}B,-bar 4n{gamma}) reaction at a beam energy of 50 MeV, have been studied. The unfavoured signature partner ({alpha}=-1/2) of the {pi}g{sub 9/2} yrast band is proposed up to an excitation energy of 6669.4 keV and spin (31/2{sup +}). Lifetimes have been estimated for three states belonging to the favoured {alpha}=+1/2 band. The B(E2) values deduced from these lifetimes indicate a moderate quadrupole deformation of {beta}{sub 2}=0.20. Theoretical calculations within the framework of the particle-rotor-model suggest that low energy states before the onset of the {nu}g{sub 9/2} alignment at a rotational frequency of {approx}0.5 MeV are prolate while those above this frequency have an oblate shape. The excited {delta}I=1 band has been extended up to 5422.7 keV and spin 25/2{sup -}. The B(M1) rates derived from the measured lifetimes decrease with spin. The results are in general agreement with an earlier TAC calculation, suggesting the interpretation of these states as arising from magnetic rotation.

Relocation of the disulfonic stilbene sites of AE1 (band 3) on the basis of fluorescence energy transfer measurements.

Science.gov (United States)

Knauf, Philip A; Law, Foon-Yee; Leung, Tze-Wah Vivian; Atherton, Stephen J

2004-09-28

Previous fluorescence resonance energy transfer (FRET) measurements, using BIDS (4-benzamido-4'-isothiocyanostilbene-2,2'-disulfonate) as a label for the disulfonic stilbene site and FM (fluorescein-5-maleimide) as a label for the cytoplasmic SH groups on band 3 (AE1), combined with data showing that the cytoplasmic SH groups lie about 40 A from the cytoplasmic surface of the lipid bilayer, would place the BIDS sites very near the membrane's inner surface, a location that seems to be inconsistent with current models of AE1 structure and mechanism. We reinvestigated the BIDS-FM distance, using laser single photon counting techniques as well as steady-state fluorescence of AE1, in its native membrane environment. Both techniques agree that there is very little energy transfer from BIDS to FM. The mean energy transfer (E), based on three-exponential fits to the fluorescence decay data, is 2.5 +/- 0.7% (SEM, N = 12). Steady-state fluorescence measurements also indicate BIDS to FM. These data indicate that the BIDS sites are probably over 63 A from the cytoplasmic SH groups, placing them near the middle or the external half of the lipid bilayer. This relocation of the BIDS sites fits with other evidence that the disulfonic stilbene sites are located farther toward the external membrane surface than Glu-681, a residue near the inner membrane surface whose modification affects the pH dependence and anion selectivity of band 3. The involvement of two relatively distant parts of the AE1 protein in transport function suggests that the transport mechanism requires coordinated large-scale conformational changes in the band 3 protein.

Reward banding to determine reporting rate of recovered mourning dove bands

Science.gov (United States)

Tomlinson, R.E.

1968-01-01

Reward bands placed on the other leg of certain regularly banded immature mourning doves (Zenaidura macroura) were used to develop information on reporting rates of recovered dove bands. Reports from 15 widely separated sections of the United States showed considerable variation in recovery rate of doves both with and without reward bands. The overall percentages of banded doves that were reported as recovered were 9.69% for those with reward bands and 3.83% for controls. The bandreporting rate for states influenced by publicity was 66%; that for states not influenced was 32%.

Band structures in near spherical 138Ce

Science.gov (United States)

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

2009-06-01

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

Surface band structures on Nb(001)

International Nuclear Information System (INIS)

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

1994-01-01

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

Application of energies of optimal frequency bands for fault diagnosis based on modified distance function

Energy Technology Data Exchange (ETDEWEB)

Zamanian, Amir Hosein [Southern Methodist University, Dallas (United States); Ohadi, Abdolreza [Amirkabir University of Technology (Tehran Polytechnic), Tehran (Iran, Islamic Republic of)

2017-06-15

Low-dimensional relevant feature sets are ideal to avoid extra data mining for classification. The current work investigates the feasibility of utilizing energies of vibration signals in optimal frequency bands as features for machine fault diagnosis application. Energies in different frequency bands were derived based on Parseval's theorem. The optimal feature sets were extracted by optimization of the related frequency bands using genetic algorithm and a Modified distance function (MDF). The frequency bands and the number of bands were optimized based on the MDF. The MDF is designed to a) maximize the distance between centers of classes, b) minimize the dispersion of features in each class separately, and c) minimize dimension of extracted feature sets. The experimental signals in two different gearboxes were used to demonstrate the efficiency of the presented technique. The results show the effectiveness of the presented technique in gear fault diagnosis application.

Phenomenological descriptions of the Yrast bands in sup(160,162,164,166)Yb nuclei band crossings and moments of inertia

International Nuclear Information System (INIS)

El Zaiki, M.I.; Nafie, H.O.; Abd El Mageed, K.E.

1992-01-01

Two methods of calculations have been used to fit the previously presented data on rotationally aligned quasiparticle bands in sup(160,162,164,166)Yb. Backbendings of moment of inertia of the Yrast states can be reproduced reasonably well. The energy levels and the effective moment of inertia for both gs and s-band are calculated and compared with the experimental data. Band crossing interpretations are discussed for each nucleus. The interaction strength calculations are presented. (author). 17 refs., 7 figs., 4 tabs

Conduction band-edge d-states in high-k dielectrics due to Jahn-Teller term splittings

International Nuclear Information System (INIS)

Lucovsky, G.; Fulton, C.C.; Zhang, Y.; Luning, J.; Edge, L.; Whitten, J.L.; Nemanich, R.J.; Schlom, D.G.; Afanase'v, V.V.

2005-01-01

X-ray absorption spectroscopy (XAS) is used to study conduction band edge electronic structure of high-k transition metal (TM) and trivalent lanthanide series rare earth (RE) oxide dielectrics. Empty TM/RE d-states are studied by intra-atomic transitions originating in core level spin-orbit split p-states, and conduction band states are studied in inter-atomic transitions which originate in the oxygen atom 1s core level state. In non-crystalline Zr and Hf silicate alloys, the local bonding symmetry, or crystal field splits these d-states into doubly and triply degenerate features. In nano-crystalline oxides, there are additional d-state splittings due to contributions of more distant neighbors that completely remove d-state degeneracies via the Jahn-Teller effect mechanism. This gives rise to highly localized band edge states that are electronically active in photoconductivity, internal photoemission, and act as bulk traps in metal oxide semiconductor (MOS) devices

Steady-state emission of blazars at very high energies

International Nuclear Information System (INIS)

Hoehne-Moench, Daniel

2010-01-01

One key scientific program of the MAGIC telescope project is the discovery and detection of blazars. They constitute the most prominent extragalactic source class in the very high energy (VHE) γ-ray regime with 29 out of 34 known objects. Therefore a major part of the available observation time was spent in the last years on high-frequency peaked blazars. The selection criteria were chosen to increase the detection probability. As the X-ray flux is believed to be correlated to the VHE γ-ray flux, only X-ray selected sources with a flux F X >2 μJy at 1 keV were considered. To avoid strong attenuation of the -rays in the extragalactic infrared background, the redshift was restricted to values between z X-γ between the X-ray range at 1 keV and the VHE γ-ray regime at 200 GeV were calculated. The majority of objects show a spectral behaviour as expected from the source class of HBLs: The energy output in the VHE regime is in general lower than in X-rays. For the stacked blazar sample the broad-band spectral index was calculated to α X-γ =1.09, confirming the result found for the individual objects. Another evidence for the revelation of the baseline emission is the broad-band spectral energy distribution (SED) comprising archival as well as contemporaneous multi-wavelength data from the radio to the VHE band. The SEDs of known VHE γ-ray sources in low flux states matches well the SED of the stacked blazar sample. (orig.)

Topological nanophononic states by band inversion

Science.gov (United States)

Esmann, Martin; Lamberti, Fabrice Roland; Senellart, Pascale; Favero, Ivan; Krebs, Olivier; Lanco, Loïc; Gomez Carbonell, Carmen; Lemaître, Aristide; Lanzillotti-Kimura, Norberto Daniel

2018-04-01

Nanophononics is essential for the engineering of thermal transport in nanostructured electronic devices, it greatly facilitates the manipulation of mechanical resonators in the quantum regime, and it could unveil a new route in quantum communications using phonons as carriers of information. Acoustic phonons also constitute a versatile platform for the study of fundamental wave dynamics, including Bloch oscillations, Wannier-Stark ladders, and other localization phenomena. Many of the phenomena studied in nanophononics were inspired by their counterparts in optics and electronics. In these fields, the consideration of topological invariants to control wave dynamics has already had a great impact for the generation of robust confined states. Interestingly, the use of topological phases to engineer nanophononic devices remains an unexplored and promising field. Conversely, the use of acoustic phonons could constitute a rich platform to study topological states. Here, we introduce the concept of topological invariants to nanophononics and experimentally implement a nanophononic system supporting a robust topological interface state at 350 GHz. The state is constructed through band inversion, i.e., by concatenating two semiconductor superlattices with inverted spatial mode symmetries. The existence of this state is purely determined by the Zak phases of the constituent superlattices, i.e., the one-dimensional Berry phase. We experimentally evidenced the mode through Raman spectroscopy. The reported robust topological interface states could become part of nanophononic devices requiring resonant structures such as sensors or phonon lasers.

Experimental study of ΔI=1 bands in 111In

International Nuclear Information System (INIS)

Banerjee, P.; Pradhan, M. K.; Ganguly, S.; Sharma, H. P.; Muralithar, S.; Singh, R. P.; Bhowmik, R. K.

2011-01-01

The two ΔI=1 bands in 111 In, built upon the 3461.0 and 4931.8 keV states, have been studied. The bands were populated in the reaction 100 Mo( 19 F, α4nγ) at a beam energy of 105 MeV. Mean lifetimes of nine states, four in the first and five in the second band, have been determined for the first time from Doppler shift attenuation data. The deduced B(M1) rates and their behavior as a function of level spin support the interpretation of these bands within the framework of the shears mechanism. The geometrical model of Machiavelli et al. has been used to derive the effective gyromagnetic ratios for the two bands.

Multiscale energy reallocation during low-frequency steady-state brain response.

Science.gov (United States)

Wang, Yifeng; Chen, Wang; Ye, Liangkai; Biswal, Bharat B; Yang, Xuezhi; Zou, Qijun; Yang, Pu; Yang, Qi; Wang, Xinqi; Cui, Qian; Duan, Xujun; Liao, Wei; Chen, Huafu

2018-05-01

Traditional task-evoked brain activations are based on detection and estimation of signal change from the mean signal. By contrast, the low-frequency steady-state brain response (lfSSBR) reflects frequency-tagging activity at the fundamental frequency of the task presentation and its harmonics. Compared to the activity at these resonant frequencies, brain responses at nonresonant frequencies are largely unknown. Additionally, because the lfSSBR is defined by power change, we hypothesize using Parseval's theorem that the power change reflects brain signal variability rather than the change of mean signal. Using a face recognition task, we observed power increase at the fundamental frequency (0.05 Hz) and two harmonics (0.1 and 0.15 Hz) and power decrease within the infra-slow frequency band ( .955) of their spatial distribution and brain-behavior relationship at all frequency bands. Additionally, the reallocation of finite energy was observed across various brain regions and frequency bands, forming a particular spatiotemporal pattern. Overall, results from this study strongly suggest that frequency-specific power and variability may measure the same underlying brain activity and that these results may shed light on different mechanisms between lfSSBR and brain activation, and spatiotemporal characteristics of energy reallocation induced by cognitive tasks. © 2018 Wiley Periodicals, Inc.

First-principles energy band calculation of Ruddlesden–Popper compound Sr{sub 3}Sn{sub 2}O{sub 7} using modified Becke–Johnson exchange potential

Energy Technology Data Exchange (ETDEWEB)

Kamimura, Sunao, E-mail: kamimura-sunao@che.kyutech.ac.jp [Department of Applied Chemistry, Faculty of Engineering, Kyushu Institute of Technology, 1-1 Sensuicho, Tobata, Kitakyushu, Fukuoka 804-8550 (Japan); National Institute of Advanced Industrial Science and Technology (AIST), 807-1 Shuku-machi, Tosu, Saga 841-0052 (Japan); Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Science, Kyushu University, 6-1 Kasuga Kouen, Kasuga, Fukuoka 816-8580 Japan (Japan); Obukuro, Yuki [Interdisciplinary Graduate School of Agriculture and Engineering, University of Miyazaki, 1-1 Gakuenkibanadai-nishi, Miyazaki 889-2192 (Japan); Matsushima, Shigenori, E-mail: smatsu@kct.ac.jp [Department of Creative Engineering, National Institute of Technology, Kitakyushu College, 5-20-1 Shii, Kokuraminami-ku, Kitakyushu, Fukuoka 802-0985 (Japan); Nakamura, Hiroyuki [Department of Creative Engineering, National Institute of Technology, Kitakyushu College, 5-20-1 Shii, Kokuraminami-ku, Kitakyushu, Fukuoka 802-0985 (Japan); Arai, Masao [Computational Materials Science Unit (CMSU), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba 305-0044 (Japan); Xu, Chao-Nan, E-mail: cn-xu@aist.go.jp [National Institute of Advanced Industrial Science and Technology (AIST), 807-1 Shuku-machi, Tosu, Saga 841-0052 (Japan); Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Science, Kyushu University, 6-1 Kasuga Kouen, Kasuga, Fukuoka 816-8580 Japan (Japan); International Institute for Carbon Neutral Energy Research (WPI-I2CNER), Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395 (Japan)

2015-12-15

The electronic structure of Sr{sub 3}Sn{sub 2}O{sub 7} is evaluated by the scalar-relativistic full potential linearized augmented plane wave (FLAPW+lo) method using the modified Becke–Johnson potential (Tran–Blaha potential) combined with the local density approximation correlation (MBJ–LDA). The fundamental gap between the valence band (VB) and conduction band (CB) is estimated to be 3.96 eV, which is close to the experimental value. Sn 5s states and Sr 4d states are predominant in the lower and upper CB, respectively. On the other hand, the lower VB is mainly composed of Sn 5s, 5p, and O 2p states, while the upper VB mainly consists of O 2p states. These features of the DOS are well reflected by the optical transition between the upper VB and lower CB, as seen in the energy dependence of the dielectric function. Furthermore, the absorption coefficient estimated from the MBJ–LDA is similar to the experimental result. - Graphical abstract: Calculated energy band structure along the symmetry lines of the first BZ of Sr{sub 3}Sn{sub 2}O{sub 7} crystal obtained using the MBJ potential. - Highlights: • Electronic structure of Sr{sub 3}Sn{sub 2}O{sub 7} is calculated on the basis of MBJ–LDA method for the first time. • Band gap of Sr{sub 3}Sn{sub 2}O{sub 7} is determined accurately on the basis of MBJ–LDA method. • The experimental absorption spectrum of Sr{sub 3}Sn{sub 2}O{sub 7} produced by MBJ–LDA is more accurate than that obtained by GGA method.

Energy band structure of Cr by the Slater-Koster interpolation scheme

International Nuclear Information System (INIS)

Seifu, D.; Mikusik, P.

1986-04-01

The matrix elements of the Hamiltonian between nine localized wave-functions in tight-binding formalism are derived. The symmetry adapted wave-functions and the secular equations are formed by the group theory method for high symmetry points in the Brillouin zone. A set of interaction integrals is chosen on physical ground and fitted via the Slater-Koster interpolation scheme to the abinito band structure of chromium calculated by the Green function method. Then the energy band structure of chromium is interpolated and extrapolated in the Brillouin zone. (author)

Chiral classical states in a rhombus and a rhombi chain of Josephson junctions with two-band superconducting elements

CERN Document Server

Dias, R G; Coutinho, B C; Martins, L P

2014-01-01

We present a study of Josephson junctions arrays with two-band superconducting elements in the highcapacitance limit. We consider two particular geometries for these arrays: a single rhombus and a rhombi chain with two-band superconducting elements at the spinal positions. We show that the rhombus shaped JJ circuit and the rhombi chain can be mapped onto a triangular JJ circuit and a JJ two-leg ladder, respectively, with zero effective magnetic flux, but with Josephson couplings that are magnetic flux dependent. If the two-band superconductors are in a sign-reversed pairing state, one observes transitions to or from chiral phase configurations in the mapped superconducting arrays when magnetic flux or temperature are varied. The phase diagram for these chiral configurations is discussed. When half-flux quantum threads each rhombus plaquette, new phase configurations of the rhombi chain appear that are characterized by the doubling of the periodicity of the energy density along the chain, with every other two-...

Theory of two-photon absorption by exciton states in cubic semiconductors with degenerate valence bands

International Nuclear Information System (INIS)

Nguyen Ai Viet; Nguyen Toan Thang.

1987-06-01

The coefficient of the absorption of two polarized photons is calculated for direct band gap semiconductors with degenerate valence bands. Wannier-Mott exciton states are included in both the intermediate and final states. Numerical calculations are performed for ZnSe and are compared with Sondergeld's experimental and theoretical results. (author). 11 refs, 2 tabs

Hydrostatic pressure and conduction band non-parabolicity effects on the impurity binding energy in a spherical quantum dot

International Nuclear Information System (INIS)

Sivakami, A.; Mahendran, M.

2010-01-01

The binding energy of a shallow hydrogenic impurity in a spherical quantum dot under hydrostatic pressure with square well potential is calculated using a variational approach within the effective mass approximation. The effect of conduction band non-parabolicity on these energies is also estimated. The binding energy is computed for GaAs spherical quantum dot as a function of dot size, hydrostatic pressure both in the presence and absence of the band non-parabolicity effect. Our results show that (i) the hydrostatic pressure increases the impurity binding energy when dot radius increases for a given pressure, (ii) the hydrostatic pressure with the band non-parabolicity effect effectively increases the binding energy such that the variation is large for smaller dots and (iii) the maximum contribution by the non-parabolicity effect is about 15% for narrow dots. Our results are in good agreement with Perez-Merchancano et al. [J. Phys. Condens. Matter 19 (2007) 026225] who have not considered the conduction band non-parabolicity effect.

Energies of conduction bands in dielectric liquids

International Nuclear Information System (INIS)

Holroyd, R.

1975-01-01

The properties of excess electrons in non-polar liquids depend on the relative energies of the trapped and conducting states. We have measured the energies of the conducting states, denoted V 0 , for about twenty non-polar liquids. Two methods were used: In one the work functions of metals immersed in the liquid were measured. In the other, solutes (TMPD) were photoionized in the liquid and V 0 calculated from the wavelength at which ionization onsets occur. A wide variation in conduction state energies is observed from a high of +0.21 eV for tetradecane to a low of --0.60 eV for tetramethylsilane. In general V 0 shifts to more negative values with increasing molecular symmetry, and correlates well with electron mobility. The photoionization results indicate that V 0 decreases with increasing temperature. In mixtures V 0 is linearly dependent on mole fraction. It was found empirically for n-hexane-neopentane mixtures that μ = 0.34 exp [--15.2(V 0 )]. This equation relating V 0 to the electron mobility also applies approximately to pure hydrocarbons. Thus the role of the conduction state energy in influencing electron mobilities and photoionization onsets is established and recent evidence indicates V 0 also influences the rates of electron reactions in these liquids

Matrix elements of intraband transitions in quantum dot intermediate band solar cells: the influence of quantum dot presence on the extended-state electron wave-functions

International Nuclear Information System (INIS)

Nozawa, Tomohiro; Arakawa, Yasuhiko

2014-01-01

The intraband transitions which are essential for quantum dot intermediate band solar cells (QD IBSCs) are theoretically investigated by estimating the matrix elements from a ground bound state, which is often regarded as an intermediate band (IB), to conduction band (CB) states for a structure with a quantum dot (QD) embedded in a matrix (a QD/matrix structure). We have found that the QD pushes away the electron envelope functions (probability densities) from the QD region in almost all quantum states above the matrix CB minimum. As a result, the matrix elements of the intraband transitions in the QD/matrix structure are largely reduced, compared to those calculated assuming the envelope functions of free electrons (i.e., plane-wave envelope functions) in a matrix structure as the final states of the intraband transitions. The result indicates the strong influence of the QD itself on the intraband transitions from the IB to the CB states in QD IBSC devices. This work will help in better understanding the problem of the intraband transitions and give new insight, that is, engineering of quantum states is indispensable for the realization of QD IBSCs with high solar energy conversion efficiencies. (paper)

Strategic Energy Management Plan for the Santa Ynez Band of Chumash Indians

Energy Technology Data Exchange (ETDEWEB)

Davenport, Lars [Santa Ynez Band of Chumash Indians, Santa Ynez, CA (United States); Smythe, Louisa [Santa Ynez Band of Chumash Indians, Santa Ynez, CA (United States); Sarquilla, Lindsey [Santa Ynez Band of Chumash Indians, Santa Ynez, CA (United States); Ferguson, Kelly [Santa Ynez Band of Chumash Indians, Santa Ynez, CA (United States)

2015-03-27

This plan outlines the Santa Ynez Band of Chumash Indians’ comprehensive energy management strategy including an assessment of current practices, a commitment to improving energy performance and reducing overall energy use, and recommended actions to achieve these goals. Vision Statement The primary objective of the Strategic Energy Management Plan is to implement energy efficiency, energy security, conservation, education, and renewable energy projects that align with the economic goals and cultural values of the community to improve the health and welfare of the tribe. The intended outcomes of implementing the energy plan include job creation, capacity building, and reduced energy costs for tribal community members, and tribal operations. By encouraging energy independence and local power production the plan will promote self-sufficiency. Mission & Objectives The Strategic Energy Plan will provide information and suggestions to guide tribal decision-making and provide a foundation for effective management of energy resources within the Santa Ynez Band of Chumash Indians (SYBCI) community. The objectives of developing this plan include; Assess current energy demand and costs of all tribal enterprises, offices, and facilities; Provide a baseline assessment of the SYBCI’s energy resources so that future progress can be clearly and consistently measured, and current usage better understood; Project future energy demand; Establish a system for centralized, ongoing tracking and analysis of tribal energy data that is applicable across sectors, facilities, and activities; Develop a unifying vision that is consistent with the tribe’s long-term cultural, social, environmental, and economic goals; Identify and evaluate the potential of opportunities for development of long-term, cost effective energy sources, such as renewable energy, energy efficiency and conservation, and other feasible supply- and demand-side options; and Build the SYBCI’s capacity for

Flat electronic bands in fractal-kagomé network and the effect of perturbation

Energy Technology Data Exchange (ETDEWEB)

Nandy, Atanu, E-mail: atanunandy1989@gmail.com; Chakrabarti, Arunava, E-mail: arunava-chakrabarti@yahoo.co.in [Department of Physics, University of Kalyani, Kalyani, West Bengal - 741235 (India)

2016-05-06

We demonstrate an analytical prescription of demonstrating the flat band [FB] states in a fractal incorporated kagomé type network that can give rise to a countable infinity of flat non-dispersive eigenstates with a multitude of localization area. The onset of localization can, in principle, be delayed in space by an appropriate choice of energy regime. The length scale, at which the onset of localization for each mode occurs, can be tuned at will following the formalism developed within the framework of real space renormalization group. This scheme leads to an exact determination of energy eigenvalue for which one can have dispersionless flat electronic bands. Furthermore, we have shown the effect ofuniform magnetic field for the same non-translationally invariant network model that has ultimately led to an‘apparent invisibility’ of such staggered localized states and to generate absolutely continuous sub-bands in the energy spectrum and again an interesting re-entrant behavior of those FB states.

Experimental observation on asymmetric energy flux within the forbidden frequency band in the LC transmission line

International Nuclear Information System (INIS)

Tao Feng; Chen Weizhong; Pan Junting; Xu Wen; Du Sidan

2012-01-01

We study the energy flux in a nonlinear electrical transmission line consisting of two coupled segments which are identical in structure and different in parameters. The asymmetry of energy flux caused by nonlinear wave has been observed experimentally in the forbidden band of the line. The experiment shows whether the energy can flow through the transmission line depends on the amplitude of the boundary driving voltages, which can be well explained in the theoretical framework of nonlinear supratransmission. The numerical simulation based on Kirchhoff’s laws further verifies the existence of the asymmetric energy flux in the forbidden band.

Effect of density of state on isotope effect exponent of two-band superconductors

International Nuclear Information System (INIS)

Udomsamuthirun, P.; Kumvongsa, C.; Burakorn, A.; Changkanarth, P.; Yoksan, S.

2005-01-01

The exact formula of T c 's equation and the isotope effect exponent of two-band s-wave superconductors in weak-coupling limit are derived by considering the influence of two kinds of density of state: constant and van Hove singularity. The paring interaction in each band consisted of two parts: the electron-phonon interaction and non-electron-phonon interaction are included in our model. We find that the interband interaction of electron-phonon show more effect on isotope exponent than the intraband interaction and the isotope effect exponent with constant density of state can fit to experimental data, MgB 2 and high-T c superconductor, better than van Hove singularity density of state

Decay from the superdeformed bands in 194Hg

International Nuclear Information System (INIS)

Henry, R.G.; Khoo, T.L.; Carpenter, M.P.

1995-01-01

Superdeformed bands in 194 H g were studied using the early implementation of Gammasphere. The response functions for the Ge detectors were measured for the first time as part of this experiment. Experiments were performed with both a backed target (where the residue stopped in the Au backing) and a thin target (where the residue recoiled into vacuum). This will permit measurements of the decay times of the quasicontinuum γrays. The spectrum in coincidence with the yrast SD band in 194 Hg reveals the same features as found in the quasicontinuum structure in 192 Hg. These features include: statistical γrays feeding the SD band, a pronounced E2 peak from transitions feeding the SD band, a Ml/E2 bump at low energies that is associated with the last stages of feeding of the superdeformed band, and a quasicontinuous distribution from γrays linking SD and normal states, including a sizable clustering of strength around 1.7 MeV. The remarkable similarity of the spectra coincident with SD bands in 192,194 Hg provides additional support for a statistical process for decay out of the SD states. This similarity contrasts with differences observed in the spectrum coincident with the SD band in the odd-even 191 Hg, confirming the predictions about the role of pairing (in normal states) in influencing the shape of the decay-out spectrum

Influence of the aggregate state on band structure and optical properties of C60 computed with different methods

Science.gov (United States)

Pal, Amrita; Arabnejad, Saeid; Yamashita, Koichi; Manzhos, Sergei

2018-05-01

C60 and C60 based molecules are efficient acceptors and electron transport layers for planar perovskite solar cells. While properties of these molecules are well studied by ab initio methods, those of solid C60, specifically its optical absorption properties, are not. We present a combined density functional theory-Density Functional Tight Binding (DFTB) study of the effect of solid state packing on the band structure and optical absorption of C60. The valence and conduction band edge energies of solid C60 differ on the order of 0.1 eV from single molecule frontier orbital energies. We show that calculations of optical properties using linear response time dependent-DFT(B) or the imaginary part of the dielectric constant (dipole approximation) can result in unrealistically large redshifts in the presence of intermolecular interactions compared to available experimental data. We show that optical spectra computed from the frequency-dependent real polarizability can better reproduce the effect of C60 aggregation on optical absorption, specifically with a generalized gradient approximation functional, and may be more suited to study effects of molecular aggregation.

Quantitative operando visualization of the energy band depth profile in solar cells.

Science.gov (United States)

Chen, Qi; Mao, Lin; Li, Yaowen; Kong, Tao; Wu, Na; Ma, Changqi; Bai, Sai; Jin, Yizheng; Wu, Dan; Lu, Wei; Wang, Bing; Chen, Liwei

2015-07-13

The energy band alignment in solar cell devices is critically important because it largely governs elementary photovoltaic processes, such as the generation, separation, transport, recombination and collection of charge carriers. Despite the expenditure of considerable effort, the measurement of energy band depth profiles across multiple layers has been extremely challenging, especially for operando devices. Here we present direct visualization of the surface potential depth profile over the cross-sections of operando organic photovoltaic devices using scanning Kelvin probe microscopy. The convolution effect due to finite tip size and cantilever beam crosstalk has previously prohibited quantitative interpretation of scanning Kelvin probe microscopy-measured surface potential depth profiles. We develop a bias voltage-compensation method to address this critical problem and obtain quantitatively accurate measurements of the open-circuit voltage, built-in potential and electrode potential difference.

Point-Defect Nature of the Ultraviolet Absorption Band in AlN

Science.gov (United States)

Alden, D.; Harris, J. S.; Bryan, Z.; Baker, J. N.; Reddy, P.; Mita, S.; Callsen, G.; Hoffmann, A.; Irving, D. L.; Collazo, R.; Sitar, Z.

2018-05-01

We present an approach where point defects and defect complexes are identified using power-dependent photoluminescence excitation spectroscopy, impurity data from SIMS, and density-functional-theory (DFT)-based calculations accounting for the total charge balance in the crystal. Employing the capabilities of such an experimental computational approach, in this work, the ultraviolet-C absorption band at 4.7 eV, as well as the 2.7- and 3.9-eV luminescence bands in AlN single crystals grown via physical vapor transport (PVT) are studied in detail. Photoluminescence excitation spectroscopy measurements demonstrate the relationship between the defect luminescent bands centered at 3.9 and 2.7 eV to the commonly observed absorption band centered at 4.7 eV. Accordingly, the thermodynamic transition energy for the absorption band at 4.7 eV and the luminescence band at 3.9 eV is estimated at 4.2 eV, in agreement with the thermodynamic transition energy for the CN- point defect. Finally, the 2.7-eV PL band is the result of a donor-acceptor pair transition between the VN and CN point defects since nitrogen vacancies are predicted to be present in the crystal in concentrations similar to carbon-employing charge-balance-constrained DFT calculations. Power-dependent photoluminescence measurements reveal the presence of the deep donor state with a thermodynamic transition energy of 5.0 eV, which we hypothesize to be nitrogen vacancies in agreement with predictions based on theory. The charge state, concentration, and type of impurities in the crystal are calculated considering a fixed amount of impurities and using a DFT-based defect solver, which considers their respective formation energies and the total charge balance in the crystal. The presented results show that nitrogen vacancies are the most likely candidate for the deep donor state involved in the donor-acceptor pair transition with peak emission at 2.7 eV for the conditions relevant to PVT growth.

Communication: Broad manifold of excitonic states in light-harvesting complex 1 promotes efficient unidirectional energy transfer in vivo

Science.gov (United States)

Sohail, Sara H.; Dahlberg, Peter D.; Allodi, Marco A.; Massey, Sara C.; Ting, Po-Chieh; Martin, Elizabeth C.; Hunter, C. Neil; Engel, Gregory S.

2017-10-01

In photosynthetic organisms, the pigment-protein complexes that comprise the light-harvesting antenna exhibit complex electronic structures and ultrafast dynamics due to the coupling among the chromophores. Here, we present absorptive two-dimensional (2D) electronic spectra from living cultures of the purple bacterium, Rhodobacter sphaeroides, acquired using gradient assisted photon echo spectroscopy. Diagonal slices through the 2D lineshape of the LH1 stimulated emission/ground state bleach feature reveal a resolvable higher energy population within the B875 manifold. The waiting time evolution of diagonal, horizontal, and vertical slices through the 2D lineshape shows a sub-100 fs intra-complex relaxation as this higher energy population red shifts. The absorption (855 nm) of this higher lying sub-population of B875 before it has red shifted optimizes spectral overlap between the LH1 B875 band and the B850 band of LH2. Access to an energetically broad distribution of excitonic states within B875 offers a mechanism for efficient energy transfer from LH2 to LH1 during photosynthesis while limiting back transfer. Two-dimensional lineshapes reveal a rapid decay in the ground-state bleach/stimulated emission of B875. This signal, identified as a decrease in the dipole strength of a strong transition in LH1 on the red side of the B875 band, is assigned to the rapid localization of an initially delocalized exciton state, a dephasing process that frustrates back transfer from LH1 to LH2.

Excitation energy transfer from the bacteriochlorophyll Soret band to carotenoids in the LH2 light-harvesting complex from Ectothiorhodospira haloalkaliphila is negligible.

Science.gov (United States)

Razjivin, A P; Lukashev, E P; Kompanets, V O; Kozlovsky, V S; Ashikhmin, A A; Chekalin, S V; Moskalenko, A A; Paschenko, V Z

2017-09-01

Pathways of intramolecular conversion and intermolecular electronic excitation energy transfer (EET) in the photosynthetic apparatus of purple bacteria remain subject to debate. Here we experimentally tested the possibility of EET from the bacteriochlorophyll (BChl) Soret band to the singlet S 2 level of carotenoids using femtosecond pump-probe measurements and steady-state fluorescence excitation and absorption measurements in the near-ultraviolet and visible spectral ranges. The efficiency of EET from the Soret band of BChl to S 2 of the carotenoids in light-harvesting complex LH2 from the purple bacterium Ectothiorhodospira haloalkaliphila appeared not to exceed a few percent.

Band structure of TiO sub 2 -doped yttria-stabilized zirconia probed by soft-x-ray spectroscopy

CERN Document Server

Higuchi, T; Kobayashi, K; Yamaguchi, S; Fukushima, A; Shin, S

2003-01-01

The electronic structure of TiO sub 2 -doped yttria-stabilized zirconia (YSZ) has been studied by soft-X-ray emission spectroscopy (SXES) and X-ray absorption spectroscopy (XAS). The valence band is mainly composed of the O 2p state. The O 1s XAS spectrum exhibits the existence of the Ti 3d unoccupied state under the Zr 4d conduction band. The intensity of the Ti 3d unoccupied state increases with increasing TiO sub 2 concentration. The energy separation between the top of the valence band and the bottom of the Ti 3d unoccupied state is in accord with the energy gap, as expected from dc-polarization and total conductivity measurements. (author)

Advances in X-Band and S-Band Linear Accelerators for Security, NDT, and Other Applications

CERN Document Server

Mishin, Andrey V

2005-01-01

At AS&E High Energy Systems Division, we designed several new advanced high energy electron beam and X-ray sources. Our primary focus has always been in building the world's most portable commercial X-band accelerators. Today, our X-band systems frequently exceed performance of the similar S-band machines, while they are more portable compared to the latter. The new designs of the X-band accelerators in the most practical energy range from 1 MeV to 6 MeV have been tested delivering outstanding results. Seventy 6 MeV X-band linacs systems have been produced. The most compact linac for security is used by AS&E in a self-shielded, Shaped Energy™ cargo screening system. We pioneered using the X-band linear accelerators for CT, producing high quality images of oil pipes and wood logs. An X-band linear accelerator head on a robotic arm has been used for electron beam radiation curing of an odd-shaped graphite composite part. We developed the broad-range 4 MeV to over 10 MeV energy-regulated X-band ...

Lanthanide 4f-electron binding energies and the nephelauxetic effect in wide band gap compounds

International Nuclear Information System (INIS)

Dorenbos, Pieter

2013-01-01

Employing data from luminescence spectroscopy, the inter 4f-electron Coulomb repulsion energy U(6, A) in Eu 2+/3+ impurities together with the 5d-centroid energy shift ϵ c (1,3+,A) in Ce 3+ impurities in 40 different fluoride, chloride, bromide, iodide, oxide, sulfide, and nitride compounds has been determined. This work demonstrates that the chemical environment A affects the two energies in a similar fashion; a fashion that follows the anion nephelauxetic sequence F, O, Cl, Br, N, I, S, Se. One may then calculate U(6, A) from well established and accurate ϵ c (1,3+,A) values which are then used as input to the chemical shift model proposed in Dorenbos (2012) [19]. As output it provides the chemical shift of 4f-electron binding energy and therewith the 4f-electron binding energy relative to the vacuum energy. In addition this method provides a tool to routinely establish the binding energy of electrons at the top of the valence band (work function) and the bottom of the conduction band (electron affinity) throughout the entire family of inorganic compounds. How the electronic structure of the compound and lanthanide impurities therein change with type of compound and type of lanthanide is demonstrated. -- Highlights: ► A relationship between 5d centroid shift and 4f-electron Coulomb repulsion energy is established. ► Information on the absolute 4f-electron binding energy of lanthanides in 40 compounds is provided. ► A new tool to determine absolute binding energies of electrons in valence and conduction bands is demonstrated

Huge operation by energy gap of novel narrow band gap Tl1-x In1-x B x Se2 (B = Si, Ge): DFT, x-ray emission and photoconductivity studies

Science.gov (United States)

Piasecki, M.; Myronchuk, G. L.; Zamurueva, O. V.; Khyzhun, O. Y.; Parasyuk, O. V.; Fedorchuk, A. O.; Albassam, A.; El-Naggar, A. M.; Kityk, I. V.

2016-02-01

It is shown that narrow band gap semiconductors Tl1-x In1-x GexSe2 are able effectively to vary the values of the energy gap. DFT simulations of the principal bands during the cationic substitutions is done. Changes of carrier transport features is explored. Relation with the changes of the near the surface states is explored . Comparison on a common energy scale of the x-ray emission Se Kβ 2 bands, representing energy distribution of the Se 4p states, indicates that these states contribute preliminary to the top of the valence band. The temperature dependence of electrical conductivity and spectral dependence photoconductivity for the Tl1-x In1-x Ge x Se2 and Tl1-x In1-x Si x Se2 single crystals were explored and compared with previously reported Tl1-x In1-x Sn x Se2. Based on our investigations, a model of centre re-charging is proposed. Contrary to other investigated crystals in Tl1-x In1-x Ge x Se2 single crystals for x = 0.1 we observe extraordinarily enormous photoresponse, which exceed more than nine times the dark current. X-ray photoelectron core-level and valence-band spectra for pristine and Ar+-ion irradiated surfaces of Tl1-x In1-x GexSe2 (x = 0.1 and 0.2) single crystals have been studied. These results indicate that the relatively low hygroscopicity of the studied single crystals is typical for the Tl1-x In1-x Ge x Se2 crystals, a property that is very important for handling these quaternary selenides as infrared materials operating at ambient conditions.

The localized effect of the Bi level on the valence band in the dilute bismuth GaBixAs1-x alloy

Science.gov (United States)

Zhao, Chuan-Zhen; Zhu, Min-Min; Wang, Jun; Wang, Sha-Sha; Lu, Ke-Qing

2018-05-01

The research on the temperature dependence of the band gap energy of the dilute bismuth GaBixAs1-x alloy has been done. It is found that its temperature insensitiveness is due to the enhanced localized character of the valence band state and the small decrease of the temperature coefficient for the conduction band minimum (CBM). The enhanced localized character of the valence band state is the main factor. In order to describe the localized effect of the Bi levels on the valence band, the localized energy is introduced into the Varshni's equation. It is found that the effect of the localized Bi level on the valence band becomes strong with increasing Bi content. In addition, it is found that the pressure dependence of the band gap energy of GaBixAs1-x does not seem to be influenced by the localized Bi levels. It is due to two factors. One is that the pressure dependence of the band gap energy is mainly determined by the D CBM of GaBixAs1-x. The D CBM of GaBixAs1-x is not influenced by the localized Bi levels. The other is that the small variation of the pressure coefficient for the D valence band maximum (VBM) state of GaBixAs1-x can be cancelled by the variation of the pressure coefficient for the D CBM state of GaBixAs1-x.

Temperature Dependence of the Energy Band Diagram of AlGaN/GaN Heterostructure

Directory of Open Access Journals (Sweden)

Yanli Liu

2018-01-01

Full Text Available Temperature dependence of the energy band diagram of AlGaN/GaN heterostructure was investigated by theoretical calculation and experiment. Through solving Schrodinger and Poisson equations self-consistently by using the Silvaco Atlas software, the energy band diagram with varying temperature was calculated. The results indicate that the conduction band offset of AlGaN/GaN heterostructure decreases with increasing temperature in the range of 7 K to 200 K, which means that the depth of quantum well at AlGaN/GaN interface becomes shallower and the confinement of that on two-dimensional electron gas reduces. The theoretical calculation results are verified by the investigation of temperature dependent photoluminescence of AlGaN/GaN heterostructure. This work provides important theoretical and experimental basis for the performance degradation of AlGaN/GaN HEMT with increasing temperature.

Projected Shell Model Description of Positive Parity Band of 130Pr Nucleus

Science.gov (United States)

Singh, Suram; Kumar, Amit; Singh, Dhanvir; Sharma, Chetan; Bharti, Arun; Bhat, G. H.; Sheikh, J. A.

2018-02-01

Theoretical investigation of positive parity yrast band of odd-odd 130Pr nucleus is performed by applying the projected shell model. The present study is undertaken to investigate and verify the very recently observed side band in 130Pr theoretically in terms of quasi-particle (qp) configuration. From the analysis of band diagram, the yrast as well as side band are found to arise from two-qp configuration πh 11/2 ⊗ νh 11/2. The present calculations are viewed to have qualitatively reproduced the known experimental data for yrast states, transition energies, and B( M1) / B( E2) ratios of this nucleus. The recently observed positive parity side band is also reproduced by the present calculations. The energy states of the side band are predicted up to spin 25+, which is far above the known experimental spin of 18+ and this could serve as a motivational factor for future experiments. In addition, the reduced transition probability B( E2) for interband transitions has also been calculated for the first time in projected shell model, which would serve as an encouragement for other research groups in the future.

Organic semiconductor density of states controls the energy level alignment at electrode interfaces

Science.gov (United States)

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

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

Science.gov (United States)

Hai, Kuo; Yu, Ning; Jia, Jiangping

2018-06-01

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

Two-band superconductor magnesium diboride

International Nuclear Information System (INIS)

Xi, X X

2008-01-01

This review focuses on the most important features of the 40 K superconductor MgB 2 -the weakly interacting multiple bands (the σ and π bands) and the distinct multiple superconducting energy gaps (the σ and π gaps). Even though the pairing mechanism of superconductor MgB 2 is the conventional electron-phonon coupling, the prominent influence of the two bands and two gaps on its properties sets it apart from other superconductors. It leads to markedly different behaviors in upper critical field, vortex structure, magnetoresistance and many other superconducting and normal-state properties in MgB 2 from single-band superconductors. Further, it gives rise to new physics that does not exist in single-band superconductors, such as the internal Josephson effects between the two order parameters. These unique phenomena depend sensitively on scattering inside and between the two bands, and the intraband and interband scattering can be modified by chemical substitution and irradiation. MgB 2 has brought unprecedented attention to two-band superconductivity, which has been found to exist in other old and new superconductors. The legacy of MgB 2 will be long lasting because of this, as well as the lessons it teaches in terms of the search for new phonon-mediated higher T c superconductors

Superdeformed bands in 64147Gd83, a possible test of the existence of octupole correlations in superdeformed bands

International Nuclear Information System (INIS)

Zuber, K.; Balouka, D.; Beck, F.A.; Byrski, T.; Curien, D.; Duchene, G.; Gehringer, C.; Haas, B.; Merdinger, J.C.; Romain, P.; Santos, D.; Styczen, J.; Vivien, J.P.; Dudek, J.; Szymanski, Z.; Werner, T.

1990-01-01

Two discrete superdeformed bands (SD) have been identified in the nucleus 147 Gd. The transitions energies of the SD yrast band lie halfway between the γ-ray energies of the yrast SD band in 146 Gd while the transition energies of the excited band lie half way between the transition energies of the yrast SD band in 148 Gd. These two bands are shown to exhibit the presence of the pseudo SU(3) symmetry and also indicate the possible existence of octupole correlations at large elongations and high spins. (orig.)

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

OpenAIRE

Alexandrov, A. S.; Reynolds, K.

2007-01-01

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

Using the Elements of Cooperative Learning in School Band Classes in the United States

Science.gov (United States)

Whitener, John L.

2016-01-01

The purpose of this article is to answer the question of how we might use the elements of cooperative learning in school band classes in the United States. Current school band programs use age-old traditions that overemphasize group and individual competitiveness, stress large ensemble performance at the expense of all other activities, are…

Relativistic band-structure calculations for electronic properties of actinide dioxides

International Nuclear Information System (INIS)

Maehira, Takahiro; Hotta, Takashi

2007-01-01

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

First observation of yrast band in odd-odd 162Lu

International Nuclear Information System (INIS)

Zhang, Y.H.; Yuan, G.J.; Liu, X.A.

1996-01-01

High spin states of the odd-odd 162 Lu nucleus have been studied via 147 Sm( 19 F, 4nγ) 162 Lu reaction at 95MeV beam energy. Level scheme for yrast band based on π[h 11/2 ] υ[i 13/2 ] quasiparticle configuration was established up to I π =(23 - ) for the first time. This band shows the signature inversion in energy before backbending generally appeared in this mass region. It is stressed that the signature splitting in 162 Lu is larger than that in the 160 Tm nucleus. (orig.)

Light-Induced Type-II Band Inversion and Quantum Anomalous Hall State in Monolayer FeSe

Science.gov (United States)

Wang, Z. F.; Liu, Zhao; Yang, Jinlong; Liu, Feng

2018-04-01

Coupling a quantum anomalous Hall (QAH) state with a superconducting state offers an attractive approach to detect the signature alluding to a topological superconducting state [Q. L. He et al., Science 357, 294 (2017), 10.1126/science.aag2792], but its explanation could be clouded by disorder effects in magnetic doped QAH materials. On the other hand, an antiferromagnetic (AFM) quantum spin Hall (QSH) state is identified in the well-known high-temperature 2D superconductor of monolayer FeSe [Z. F. Wang et al., Nat. Mater. 15, 968 (2016), 10.1038/nmat4686]. Here, we report a light-induced type-II band inversion (BI) and a QSH-to-QAH phase transition in the monolayer FeSe. Depending on the handedness of light, a spin-tunable QAH state with a high Chern number of ±2 is realized. In contrast to the conventional type-I BI resulting from intrinsic spin-orbital coupling (SOC), which inverts the band an odd number of times and respects time reversal symmetry, the type-II BI results from a light-induced handedness-dependent effective SOC, which inverts the band an even number of times and does not respect time reversal symmetry. The interplay between these two SOC terms makes the spin-up and -down bands of an AFM QSH state respond oppositely to a circularly polarized light, leading to the type-II BI and an exotic topological phase transition. Our finding affords an exciting opportunity to detect Majorana fermions in one single material without magnetic doping.

Electronic Energy Levels and Band Alignment for Aqueous Phenol and Phenolate from First Principles.

Science.gov (United States)

Opalka, Daniel; Pham, Tuan Anh; Sprik, Michiel; Galli, Giulia

2015-07-30

Electronic energy levels in phenol and phenolate solutions have been computed using density functional theory and many-body perturbation theory. The valence and conduction bands of the solvent and the ionization energies of the solutes have been aligned with respect to the vacuum level based on the concept of a computational standard hydrogen electrode. We have found significant quantitative differences between the generalized-gradient approximation, calculations with the HSE hybrid functional, and many-body perturbation theory in the G0W0 approximation. For phenol, two ionization energies below the photoionization threshold of bulk water have been assigned in the spectrum of Kohn-Sham eigenvalues of the solution. Deprotonation to phenolate was found to lift a third occupied energy level above the valence band maximum of the solvent which is characterized by an electronic lone pair at the hydroxyl group. The second and third ionization energies of phenolate were found to be very similar and explain the intensity pattern observed in recent experiments using liquid-microjet photoemission spectroscopy.

Wobbling Motion in the Multi-Bands Crossing Region: Dynamical Coupling Mode Between High- and Low-K States

International Nuclear Information System (INIS)

Oi, M.; Ansari, A.; Horibata, T.; Onishi, N.; Walker, P.M.

2001-01-01

We analyze a mechanism of coupling of high- and low-K bands in terms of a dynamical treatment for nuclear rotations, i. e., wobbling motion. The wobbling states are produced through the Generator Coordinate Method after Angular Momentum Projection (GCM-after-AMP), in which the intrinsic states are constructed through fully self consistent calculations by the 2d-cranked (or tilted-axis-cranked) HFB method. In particular, the phenomena of ''signature inversion'' and ''signature splitting'' in the t-band (tilted rotational band) are explained in terms of the wobbling model. Our calculations will be compared with new data for in-band E2 transition rates in 182 0s, which may shed light on the mechanism of the anomalous K = 25 isomer decay, directly to the yrast band. (author)

Energy level broadening effect on the equation of state of hot dense Al and Au plasma

International Nuclear Information System (INIS)

Hou Yong; Jin Fengtao; Yuan Jianmin

2007-01-01

In the hot dense matter regime, the isothermal equation of state (EOS) of Al and Au is calculated using an average-atom (AA) model in which the broadening of energy levels of atoms and ions are accounted for by using with a Gaussian distribution of the density of states. The distribution of bound electrons in the energy bands is determined by the continuum Fermi-Dirac distribution. With a self-consistent field average atoms scheme, it is shown that the energy-level broadening has a significant effect on the isothermal equation of state (EOS) of Al and Au in the hot dense matter regime. The jumps in the equation of state (EOS) induced by pressure ionization of the one-electron orbital with the increase in density, which often occur in the normal average-atom model and have been avoided by generally introducing the pseudo-shape resonance states, disappear naturally

Switching mechanism due to the spontaneous emission cancellation in photonic band gap materials doped with nano-particles

Energy Technology Data Exchange (ETDEWEB)

Singh, Mahi R. [Department of Physics and Astronomy, University of Western Ontario, London, Canada N6A 3K7 (Canada)]. E-mail: msingh@uwo.ca

2007-03-26

We have investigated the switching mechanism due to the spontaneous emission cancellation in a photonic band gap (PBG) material doped with an ensemble of four-level nano-particles. The effect of the dipole-dipole interaction has also been studied. The linear susceptibility has been calculated in the mean field theory. Numerical simulations for the imaginary susceptibility are performed for a PBG material which is made from periodic dielectric spheres. It is predicted that the system can be switched between the absorbing state and the non-absorbing state by changing the resonance energy within the energy bands of the photonic band gap material.0.

Band termination in the N=Z nucleus 44Ti

International Nuclear Information System (INIS)

Ur, C.A.; Lenzi, S.M.; Martinez-Pinedo, G.

1998-01-01

Nuclei in the vicinity of the middle of the 1f 7/2 shell show strong prolate deformation at low spins resulting in rotational-like band structures. With increasing angular momentum the structure of these nuclei evolves through triaxial and spherical shapes. Recently, band terminating states corresponding to fully aligned configurations of valence nucleons in the f 7/2 shell have been reported. Further increase of the angular momentum can be achieved by particle excitations on the higher shell. This will result in high energy γ-ray transitions as it was observed in 50 Cr. We have investigated the structure of 44 Ti up to the band termination. Excited states in 44 Ti have been populated via the 28 Si + 24 Mg at 110 MeV beam energy. The target consisted of ∼0.5 mg/cm 2 of 24 Mg deposited on a gold backing. Gamma-rays were detected with the GASP multidetector array composed by 40 HPGe Compton-suppressed detectors and the inner ball built of 80 BGO detectors. The preliminary level scheme of 44 Ti, as determined in our work, is presented. This nucleus has 2 valence protons and 2 valence neutrons filling the f 7/2 shell. The band terminating state corresponding to their total alignment is the 12 + state. Several γ-rays transitions above this state have been identified. Also, we have identified two negative parity bands strongly connected to the yrast positive parity structure. Such structures have also been observed in other two even-even N=Z nuclei in the f 7/2 shell, namely, 44 Cr and 52 Fe, but they were less populated. The structure of 44 Ti is also interesting from the point of view of the cross-conjugate symmetry. Comparing the level structure of 44 Ti and the one of its cross-conjugate nucleus at the other end of the shell, 52 Fe, it can be noticed that up to spin 10ℎ their structure is very similar, but in 44 Ti the band terminating state 12 + is not below the 10 + state as in the case of 52 Fe. This was related to a reminiscent degree of collectivity in the

Quasiparticle semiconductor band structures including spin-orbit interactions.

Science.gov (United States)

Malone, Brad D; Cohen, Marvin L

2013-03-13

We present first-principles calculations of the quasiparticle band structure of the group IV materials Si and Ge and the group III-V compound semiconductors AlP, AlAs, AlSb, InP, InAs, InSb, GaP, GaAs and GaSb. Calculations are performed using the plane wave pseudopotential method and the 'one-shot' GW method, i.e. G(0)W(0). Quasiparticle band structures, augmented with the effects of spin-orbit, are obtained via a Wannier interpolation of the obtained quasiparticle energies and calculated spin-orbit matrix. Our calculations explicitly treat the shallow semicore states of In and Ga, which are known to be important in the description of the electronic properties, as valence states in the quasiparticle calculation. Our calculated quasiparticle energies, combining both the ab initio evaluation of the electron self-energy and the vector part of the pseudopotential representing the spin-orbit effects, are in generally very good agreement with experimental values. These calculations illustrate the predictive power of the methodology as applied to group IV and III-V semiconductors.

Band structure and Fermi surface of UPd2Al3 studied by angle-resolved photoemission spectroscopy

International Nuclear Information System (INIS)

Fujimori, Shin-ichi; Saitoh, Yuji; Okane, Tetsuo; Yamagami, Hiroshi; Fujimori, Atsushi; Haga, Yoshinori; Yamamoto, Etsuji; Onuki, Yoshichika

2007-01-01

We have observed the band structure and Fermi surfaces of the heavy Fermion superconductor UPd 2 Al 3 by angle-resolved photoemission experiments in the soft X-ray region. We observed renormalized quasi-particle bands in the vicinity of the Fermi level and strongly dispersive bands on the higher binding energy side. Our observation suggests that the structure previously assigned to contributions from localized states in the U 5f spectrum has strong energy dispersions

Identification of Soil Freezing and Thawing States Using SAR Polarimetry at C-Band

Directory of Open Access Journals (Sweden)

Thomas Jagdhuber

2014-03-01

Full Text Available The monitoring of soil freezing and thawing states over large areas is very challenging on ground. In order to investigate the potential and the limitations of space-borne SAR polarimetry at C-band for soil state survey, analyses were conducted on an entire winter time series of fully polarimetric RADARSAT-2 data from 2011/2012 to identify freezing as well as thawing states within the soil. The polarimetric data were acquired over the Sodankylä test site in Finland together with in situ measurements of the soil and the snow cover. The analyses indicate clearly that the dynamics of the polarimetric entropy and mean scattering alpha angle are directly correlated to soil freezing and thawing states, even under distinct dry snow cover. First modeling attempts using the Extended Bragg soil scattering model justify the observed trends, which indicate surface-like scattering during frozen soil conditions and multiple/volume scattering for thawed soils. Hence, these first investigations at C-band foster motivation to work towards a robust polarimetric detection of soil freezing and thawing states as well as their transition phase.

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

Science.gov (United States)

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

2014-12-01

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

Passive band-gap reconfiguration born from bifurcation asymmetry.

Science.gov (United States)

Bernard, Brian P; Mann, Brian P

2013-11-01

Current periodic structures are constrained to have fixed energy transmission behavior unless active control or component replacement is used to alter their wave propagation characteristics. The introduction of nonlinearity to generate multiple stable equilibria is an alternative strategy for realizing distinct energy propagation behaviors. We investigate the creation of a reconfigurable band-gap system by implementing passive switching between multiple stable states of equilibrium, to alter the level of energy attenuation in response to environmental stimuli. The ability to avoid potentially catastrophic loads is demonstrated by tailoring the bandpass and band-gap regions to coalesce for two stable equilibria and varying an external load parameter to trigger a bifurcation. The proposed phenomenon could be utilized in remote or autonomous applications where component modifications and active control are impractical.

Nanoscale probing of bandgap states on oxide particles using electron energy-loss spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Liu, Qianlang [School for the Engineering of Matter, Transport and Energy, Arizona State University, 85287 AZ (United States); March, Katia [Laboratoire de Physique des Solides, Bâtiment 510, Université Paris-Sud, 91405 Orsay Cedex (France); Crozier, Peter A., E-mail: CROZIER@asu.edu [School for the Engineering of Matter, Transport and Energy, Arizona State University, 85287 AZ (United States)

2017-07-15

Surface and near-surface electronic states were probed with nanometer spatial resolution in MgO and TiO{sub 2} anatase nanoparticles using ultra-high energy resolution electron energy-loss spectroscopy (EELS) coupled to a scanning transmission electron microscope (STEM). This combination allows the surface electronic structure determined with spectroscopy to be correlated with nanoparticle size, morphology, facet etc. By acquiring the spectra in aloof beam mode, radiation damage to the surface can be significantly reduced while maintaining the nanometer spatial resolution. MgO and TiO{sub 2} showed very different bandgap features associated with the surface/sub-surface layer of the nanoparticles. Spectral simulations based on dielectric theory and density of states models showed that a plateau feature found in the pre-bandgap region in the spectra from (100) surfaces of 60 nm MgO nanocubes is consistent with a thin hydroxide surface layer. The spectroscopy shows that this hydroxide species gives rise to a broad filled surface state at 1.1 eV above the MgO valence band. At the surfaces of TiO{sub 2} nanoparticles, pronounced peaks were observed in the bandgap region, which could not be well fitted to defect states. In this case, the high refractive index and large particle size may make Cherenkov or guided light modes the likely causes of the peaks. - Highlights: • Bandgap states detected with aloof beam monochromated EELS on oxide nanoparticle surfaces. • Dielectric theory applied to simulate the spectra and interpret surface structure. • Density of states models also be employed to understand the surface electronic structure. • In MgO, one states associate with water species was found close to the valence band edge. • In anatase, two mid-gap states associated with point defects were found.

Transient and steady-state auditory gamma-band responses in first-degree relatives of people with autism spectrum disorder

Directory of Open Access Journals (Sweden)

Rojas Donald C

2011-07-01

Full Text Available Abstract Background Stimulus-related γ-band oscillations, which may be related to perceptual binding, are reduced in people with autism spectrum disorders (ASD. The purpose of this study was to examine auditory transient and steady-state γ-band findings in first-degree relatives of people with ASD to assess the potential familiality of these findings in ASD. Methods Magnetoencephalography (MEG recordings in 21 parents who had a child with an autism spectrum disorder (pASD and 20 healthy adult control subjects (HC were obtained. Gamma-band phase locking factor (PLF, and evoked and induced power to 32, 40 and 48 Hz amplitude-modulated sounds were measured for transient and steady-state responses. Participants were also tested on a number of behavioral and cognitive assessments related to the broad autism phenotype (BAP. Results Reliable group differences were seen primarily for steady-state responses. In the left hemisphere, pASD subjects exhibited lower phase-locked steady-state power in all three conditions. Total γ-band power, including the non-phase-locked component, was also reduced in the pASD group. In addition, pASD subjects had significantly lower PLF than the HC group. Correlations were seen between MEG measures and BAP measures. Conclusions The reduction in steady-state γ-band responses in the pASD group is consistent with previous results for children with ASD. Steady-state responses may be more sensitive than transient responses to phase-locking errors in ASD. Together with the lower PLF and phase-locked power in first-degree relatives, correlations between γ-band measures and behavioral measures relevant to the BAP highlight the potential of γ-band deficits as a potential new autism endophenotype.

Collectivity of dipole bands in {sup 196}Pb

Energy Technology Data Exchange (ETDEWEB)

Carpenter, M.P.; Liang, Y.; Janssens, R.V.F. [and others

1995-08-01

The region of nuclei with mass {approximately} 190 was studied extensively over the last few years following the discovery of superdeformation in {sup 190}Hg. More recently, considerable interest in the neutron-deficient Pb isotopes developed with the discover of a number of bands at high spin connected by dipole transitions in both even {sup 192-200}Pb and odd {sup 197-201}Pb nuclei. The majority of the dipole bands are regular in character (i.e. transition energies increase smoothly with spin) while the remaining bands are referred to as irregular in character, due to the fact that the transition energies do not increase smoothly with spin. The properties of the dipole bands were interpreted in terms of high-K, moderately-deformed oblate states built on configurations involving high-J, shape-driving quasiproton excitations coupled to rotation-aligned quasineutrons. It was suggested that the difference between the regular and irregular dipole sequences is related to the deformation where the irregular sequences are thought to be less collective than their regular counterparts.

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

Science.gov (United States)

Guo, Yuzheng; Robertson, John

2017-09-01

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

Decay from the superdeformed bands in {sup 194}Hg

Energy Technology Data Exchange (ETDEWEB)

Henry, R.G.; Khoo, T.L.; Carpenter, M.P. [and others

1995-08-01

Superdeformed bands in {sup 194}H g were studied using the early implementation of Gammasphere. The response functions for the Ge detectors were measured for the first time as part of this experiment. Experiments were performed with both a backed target (where the residue stopped in the Au backing) and a thin target (where the residue recoiled into vacuum). This will permit measurements of the decay times of the quasicontinuum {gamma}rays. The spectrum in coincidence with the yrast SD band in {sup 194}Hg reveals the same features as found in the quasicontinuum structure in {sup 192}Hg. These features include: statistical {gamma}rays feeding the SD band, a pronounced E2 peak from transitions feeding the SD band, a Ml/E2 bump at low energies that is associated with the last stages of feeding of the superdeformed band, and a quasicontinuous distribution from {gamma}rays linking SD and normal states, including a sizable clustering of strength around 1.7 MeV. The remarkable similarity of the spectra coincident with SD bands in {sup 192,194}Hg provides additional support for a statistical process for decay out of the SD states. This similarity contrasts with differences observed in the spectrum coincident with the SD band in the odd-even {sup 191}Hg, confirming the predictions about the role of pairing (in normal states) in influencing the shape of the decay-out spectrum.

Esaki Diodes in van der Waals Heterojunctions with Broken-Gap Energy Band Alignment.

Science.gov (United States)

Yan, Rusen; Fathipour, Sara; Han, Yimo; Song, Bo; Xiao, Shudong; Li, Mingda; Ma, Nan; Protasenko, Vladimir; Muller, David A; Jena, Debdeep; Xing, Huili Grace

2015-09-09

van der Waals (vdW) heterojunctions composed of two-dimensional (2D) layered materials are emerging as a solid-state materials family that exhibits novel physics phenomena that can power a range of electronic and photonic applications. Here, we present the first demonstration of an important building block in vdW solids: room temperature Esaki tunnel diodes. The Esaki diodes were realized in vdW heterostructures made of black phosphorus (BP) and tin diselenide (SnSe2), two layered semiconductors that possess a broken-gap energy band offset. The presence of a thin insulating barrier between BP and SnSe2 enabled the observation of a prominent negative differential resistance (NDR) region in the forward-bias current-voltage characteristics, with a peak to valley ratio of 1.8 at 300 K and 2.8 at 80 K. A weak temperature dependence of the NDR indicates electron tunneling being the dominant transport mechanism, and a theoretical model shows excellent agreement with the experimental results. Furthermore, the broken-gap band alignment is confirmed by the junction photoresponse, and the phosphorus double planes in a single layer of BP are resolved in transmission electron microscopy (TEM) for the first time. Our results represent a significant advance in the fundamental understanding of vdW heterojunctions and broaden the potential applications of 2D layered materials.

Investigation of energy band alignments and interfacial properties of rutile NMO2/TiO2 (NM = Ru, Rh, Os, and Ir) by first-principles calculations.

Science.gov (United States)

Yang, Chen; Zhao, Zong-Yan

2017-11-08

In the field of photocatalysis, constructing hetero-structures is an efficient strategy to improve quantum efficiency. However, a lattice mismatch often induces unfavorable interfacial states that can act as recombination centers for photo-generated electron-hole pairs. If the hetero-structure's components have the same crystal structure, this disadvantage can be easily avoided. Conversely, in the process of loading a noble metal co-catalyst onto the TiO 2 surface, a transition layer of noble metal oxides is often formed between the TiO 2 layer and the noble metal layer. In this article, interfacial properties of hetero-structures composed of a noble metal dioxide and TiO 2 with a rutile crystal structure have been systematically investigated using first-principles calculations. In particular, the Schottky barrier height, band bending, and energy band alignments are studied to provide evidence for practical applications. In all cases, no interfacial states exist in the forbidden band of TiO 2 , and the interfacial formation energy is very small. A strong internal electric field generated by interfacial electron transfer leads to an efficient separation of photo-generated carriers and band bending. Because of the differences in the atomic properties of the components, RuO 2 /TiO 2 and OsO 2 /TiO 2 hetero-structures demonstrate band dividing, while RhO 2 /TiO 2 and IrO 2 /TiO 2 hetero-structures have a pseudo-gap near the Fermi energy level. Furthermore, NMO 2 /TiO 2 hetero-structures show upward band bending. Conversely, RuO 2 /TiO 2 and OsO 2 /TiO 2 hetero-structures present a relatively strong infrared light absorption, while RhO 2 /TiO 2 and IrO 2 /TiO 2 hetero-structures show an obvious absorption edge in the visible light region. Overall, considering all aspects of their properties, RuO 2 /TiO 2 and OsO 2 /TiO 2 hetero-structures are more suitable than others for improving the photocatalytic performance of TiO 2 . These findings will provide useful information

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

DEFF Research Database (Denmark)

Christensen, N. Egede; Feuerbacher, B.

1974-01-01

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

Study of intruder band in 112Sn

International Nuclear Information System (INIS)

Ganguly, S.; Banerjee, P.; Ray, I.; Kshetri, R.; Raut, R.; Bhattacharya, S.; Saha-Sarkar, M.; Goswami, A.; Mukhopadhyay, S.; Mukherjee, A.; Mukherjee, G.; Basu, S.K.

2007-01-01

Excited states of the positive-parity intruder band in 112 Sn, populated in the 100 Mo( 20 Ne,α4n) reaction at a beam energy of 136 MeV, have been studied. The band has been observed up to 11570.0 keV with spin (24 + ). Mean lifetimes have been measured for six states up to the 22 + , 10335.1 keV level and an upper limit of the lifetime has been estimated for the 11570.0 keV (24 + ) state. The B(E2) values, derived from the present lifetime results, correspond to a moderate quadrupole deformation of β 2 ∼0.18 for states with spin J π >=12 + , and the decrease in B(E2) for the 14 + ->12 + transition is consistent with a ν(h 11/2 ) 2 alignment at ω∼0.35 MeV, predicted by a cranked shell-model calculation. Total Routhian surface calculations predict a triaxial shape following the alignment

Engineering flat electronic bands in quasiperiodic and fractal loop geometries

Energy Technology Data Exchange (ETDEWEB)

Nandy, Atanu, E-mail: atanunandy1989@gmail.com; Chakrabarti, Arunava, E-mail: arunava_chakrabarti@yahoo.co.in

2015-11-06

Exact construction of one electron eigenstates with flat, non-dispersive bands, and localized over clusters of various sizes is reported for a class of quasi-one-dimensional looped networks. Quasiperiodic Fibonacci and Berker fractal geometries are embedded in the arms of the loop threaded by a uniform magnetic flux. We work out an analytical scheme to unravel the localized single particle states pinned at various atomic sites or over clusters of them. The magnetic field is varied to control, in a subtle way, the extent of localization and the location of the flat band states in energy space. In addition to this we show that an appropriate tuning of the field can lead to a re-entrant behavior of the effective mass of the electron in a band, with a periodic flip in its sign. - Highlights: • Exact construction of eigenstates with flat and dispersive bands is reported. • Competition between translational order and growth of aperiodicity is discussed. • The effect of magnetic field on the location of flat band states is shown. • Flux tunable re-entrant behavior of the effective mass of electron is studied.

Band structure of CdTe under high pressure

International Nuclear Information System (INIS)

Jayam, Sr. Gerardin; Nirmala Louis, C.; Amalraj, A.

2005-01-01

The band structures and density of states of cadmium telluride (CdTe) under various pressures ranging from normal to 4.5 Mbar are obtained. The electronic band structure at normal pressure of CdTe (ZnS structure) is analyzed and the direct band gap value is found to be 1.654 eV. CdTe becomes metal and superconductor under high pressure but before that it undergoes structural phase transition from ZnS phase to NaCl phase. The equilibrium lattice constant, bulk modulus and the phase transition pressure at which the compounds undergo structural phase transition from ZnS to NaCl are predicted from the total energy calculations. The density of states at the Fermi level (N(E F )) gets enhanced after metallization, which leads to the superconductivity in CdTe. In our calculation, the metallization pressure (P M = 1.935 Mbar) and the corresponding reduced volume ((V/V 0 ) M = 0.458) are estimated. Metallization occurs via direct closing of band gap at Γ point. (author)

Superconducting correlations in the one- and two-band Hubbard models

International Nuclear Information System (INIS)

Jain, K.P.; Ramakumar, R.; Chancey, C.C.

1989-01-01

An approximate expression is derived for the generalized energy gap function Δ kμ for a system of interacting electrons in a narrow s-band. This function has the virtue that it interpolates between the weak interaction limit (BCS) and the intermediate coupling regime. Starting from the Cooper pairing state, the authors investigate the build-up of pairing correlations and study the properties of the generalized gap in these two regimes as a function of the band filling. The coupled equations for the gap and the band filling define the self-consistency conditions. A recent extension of this analysis to the two-band model is also discussed

Spins of superdeformed band in {sup 192}Hg

Energy Technology Data Exchange (ETDEWEB)

Lauritsen, T.; Khoo, T.L.; Henry, R.G. [and others

1995-08-01

Determination of the spins of SD states is the most important challenge in the study of superdeformation. Knowledge of the spin will provide crucial information on SD bands, in particular on the fascinating phenomenon of bands with identical energies and moments of inertia. Angular distribution coefficients of the {gamma}rays decaying out of the {sup 192}Hg SD band were determined using Eurogam data. These coefficients, as well as the spectral shape and multiplicity of the spectrum, are compared with the results of calculations, thereby providing a check on these calculations. From the measured decay multiplicity and the calculated average spin removed per photon (0.3 h), we deduce the average spin {bar I}{sub decay} removed by the {gamma} rays connecting SD and normal states. The spin I{sub SD} of the SD band from which the decay occurs is given by I{sub SD} = {bar I} decay + {bar I} ND, where {bar I} ND is the average spin removed by the normal yrast states. The state from which the major decay out of the SD band occurs is found to have spin 9.5 {plus_minus} 0.8 h. Since angular momentum is (quantized), this leads to a spin assignment of 9 or 10 h. The latter value is favored since the yrast band in the SD well must have only even spin values. This constitutes the first deduction of spin from data in the mass 150 and 190 regions. The spin of 10 h agrees with the spin which is inferred from a model, using the observed moment of inertia (Im){sup (2)}{omega}.

State Energy Program Fact Sheet

Energy Technology Data Exchange (ETDEWEB)

None

2018-02-01

The U.S. Department of Energy’s State Energy Program (SEP) provides funding and technical assistance to states, territories, and the District of Columbia to enhance energy security, advance state-led energy initiatives, and maximize the benefits of decreasing energy waste.

State Energy Program Operations Manual

Energy Technology Data Exchange (ETDEWEB)

Office of Building Technology, State and Community Programs

1999-03-17

The State Energy Program Operations Manual is a reference tool for the states and the program officials at the U.S. Department of Energy's Office of Building Technology, State and Community Programs and Regional Support Offices as well as State Energy Offices. The Manual contains information needed to apply for and administer the State Energy Program, including program history, application rules and requirements, and program administration and monitoring requirements.

A Novel Dual-Band Rectenna for Ambient RF Energy Harvesting at GSM 900 MHz and 1800 MHz

Directory of Open Access Journals (Sweden)

Dinh Khanh Ho

2017-06-01

Full Text Available This paper presents a novel dual-band rectenna for RF energy harvesting system. This rectenna is created from a dual-band antenna and a dual-band rectifier which operates at GSM bands (900 MHz and 1800 MHz. The printed monopole antenna is miniaturized by two meander-lines. The received signal from the receiving antenna is rectified by a voltage double using Schottky diode SMS-7630. The rectifier is optimized for low input power level of -20dBm using harmonic balance. Prototype is designed and fabricated. The simulation is validated by measurement with power conversion efficiency of 20% and 40.8% (in measurement at the input power level of -20dBm. The proposed rectenna has output voltage from 183-415 mV. From the measured results, this rectenna provides the possibility to harvest the ambient electromagnetic energy for powering low-power electronic devices.

Energy band structure and electrical properties of Ga-oxide/GaN interface formed by remote oxygen plasma

Science.gov (United States)

Yamamoto, Taishi; Taoka, Noriyuki; Ohta, Akio; Truyen, Nguyen Xuan; Yamada, Hisashi; Takahashi, Tokio; Ikeda, Mitsuhisa; Makihara, Katsunori; Nakatsuka, Osamu; Shimizu, Mitsuaki; Miyazaki, Seiichi

2018-06-01

The energy band structure of a Ga-oxide/GaN structure formed by remote oxygen plasma exposure and the electrical interface properties of the GaN metal–oxide–semiconductor (MOS) capacitors with the SiO2/Ga-oxide/GaN structures with postdeposition annealing (PDA) at various temperatures have been investigated. Reflection high-energy electron diffraction and X-ray photoelectron spectroscopy clarified that the formed Ga-oxide layer is neither a single nor polycrystalline phase with high crystallinity. We found that the energy band offsets at the conduction band minimum and at the valence band maximum between the Ga-oxide layer and the GaN surface were 0.4 and 1.2 ± 0.2 eV, respectively. Furthermore, capacitance–voltage (C–V) characteristics revealed that the interface trap density (D it) is lower than the evaluation limit of Terman method without depending on the PDA temperatures, and that the SiO2/Ga-oxide stack can work as a protection layer to maintain the low D it, avoiding the significant decomposition of GaN at the high PDA temperature of 800 °C.

Search for the discrete non-yrast states in 152Dy around 86 ns isomer, the region into which the γ-rays drain the super-deformed band

International Nuclear Information System (INIS)

Mansour, N.

1991-01-01

Further analysis of the γ-ray study of 152 Dy emitted in the decay of the super-deformed band has been performed by using the 122 Sn ( 35 Cl, P4n) reaction at low bombarding energies. Several γ-rays de-exciting non-yrast states have been identified, among these are transitions previously observed in coincidence with this super-deformed band. The lowest two members of the super-deformed cascade have also been detected, but the data is not quite good enough to make a firm connection to them. (author)

Pressure-induced emission band separation of the hybridized local and charge transfer excited state in a TPE-based crystal.

Science.gov (United States)

Liu, Xuedan; Li, Aisen; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru

2018-05-08

We herein report a newly synthesized simple molecule, named TPE[double bond, length as m-dash]C4, with twisted D-A structure. TPE[double bond, length as m-dash]C4 showed two intrinsic emission bands ascribed to the locally excited (LE) state and the intramolecular charge transfer (ICT) state, respectively. In the crystal state, the LE emission band is usually observed. However, by applying hydrostatic pressure to the powder sample and the single crystal sample of TPE[double bond, length as m-dash]C4, dual-fluorescence (445 nm and 532 nm) was emerged under high pressure, owing to the pressure-induced emission band separation of the hybridized local and charge transfer excited state (HLCT). It is found that the emission of TPE[double bond, length as m-dash]C4 is generally determined by the ratio of the LE state to the ICT state. The ICT emission band is much more sensitive to the external pressure than the LE emission band. The HLCT state leads to a sample with different responsiveness to grinding and hydrostatic pressure. This study is of significance in the molecular design of such D-A type molecules and in the control of photoluminescence features by molecular structure. Such results are expected to pave a new way to further understand the relationship between the D-A molecular structure and stimuli-responsive properties.

Statistics of anomalously localized states at the center of band E = 0 in the one-dimensional Anderson localization model

International Nuclear Information System (INIS)

Kravtsov, V E; Yudson, V I

2013-01-01

We consider the distribution function P(|ψ| 2 ) of the eigenfunction amplitude at the center-of-band (E = 0) anomaly in the one-dimensional tight-binding chain with weak uncorrelated on-site disorder (the one-dimensional Anderson model). The special emphasis is on the probability of the anomalously localized states (ALS) with |ψ| 2 much larger than the inverse typical localization length ℓ 0 . Using the recently found solution for the generating function Φ an (u, ϕ) we obtain the ALS probability distribution P(|ψ| 2 ) at |ψ| 2 ℓ 0 ≫ 1. As an auxiliary preliminary step, we found the asymptotic form of the generating function Φ an (u, ϕ) at u ≫ 1 which can be used to compute other statistical properties at the center-of-band anomaly. We show that at moderately large values of |ψ| 2 ℓ 0 , the probability of ALS at E = 0 is smaller than at energies away from the anomaly. However, at very large values of |ψ| 2 ℓ 0 , the tendency is inverted: it is exponentially easier to create a very strongly localized state at E = 0 than at energies away from the anomaly. We also found the leading term in the behavior of P(|ψ| 2 ) at small |ψ| 2 ≪ ℓ −1 0 and show that it is consistent with the exponential localization corresponding to the Lyapunov exponent found earlier by Kappus and Wegner. (paper)

Nature of the fundamental band gap in GaNxP1-x alloys

International Nuclear Information System (INIS)

Shan, W.; Walukiewicz, W.; Yu, K. M.; Wu, J.; Ager, J. W. III; Haller, E. E.; Xin, H. P.; Tu, C. W.

2000-01-01

The optical properties of GaN x P 1-x alloys (0.007≤x≤0.031) grown by gas-source molecular-beam epitaxy have been studied. An absorption edge appears in GaN x P 1-x at energy below the indirect Γ V -X C transition in GaP, and the absorption edge shifts to lower energy with increasing N concentration. Strong photomodulation signals associated with the absorption edges in GaN x P 1-x indicate that a direct fundamental optical transition is taking place, revealing that the fundamental band gap has changed from indirect to direct. This N-induced transformation from indirect to direct band gap is explained in terms of an interaction between the highly localized nitrogen states and the extended states at the Γ conduction-band minimum. (c) 2000 American Institute of Physics

Valence-band splitting energies in wurtzite InP nanowires: Photoluminescence spectroscopy and ab initio calculations

Science.gov (United States)

Gadret, E. G.; Dias, G. O.; Dacal, L. C. O.; de Lima, M. M., Jr.; Ruffo, C. V. R. S.; Iikawa, F.; Brasil, M. J. S. P.; Chiaramonte, T.; Cotta, M. A.; Tizei, L. H. G.; Ugarte, D.; Cantarero, A.

2010-09-01

We investigated experimentally and theoretically the valence-band structure of wurtzite InP nanowires. The wurtzite phase, which usually is not stable for III-V phosphide compounds, has been observed in InP nanowires. We present results on the electronic properties of these nanowires using the photoluminescence excitation technique. Spectra from an ensemble of nanowires show three clear absorption edges separated by 44 meV and 143 meV, respectively. The band edges are attributed to excitonic absorptions involving three distinct valence-bands labeled: A, B, and C. Theoretical results based on “ab initio” calculation gives corresponding valence-band energy separations of 50 meV and 200 meV, respectively, which are in good agreement with the experimental results.

Evidence for dipolar bands in mercury isotopes using EUROGAM multi-detector

International Nuclear Information System (INIS)

Le Coz, Y.

1995-01-01

This thesis is devoted to the study of nuclear structure around mass A 190 and in particular, to the search of oblate rotational dipole bands in mercury isotopes. The reactions used to populate high spin states in 192 Hg and 193 Hg were 160 Gd ( 36 S,n) 192 Hg and 150 Nd( 48 Ca, 5n) 193 Hg at beam energies of 159 and 213 MeV. Gamma-rays have been detected using the EUROGAM phase I array. Level schemes of those two nuclei have been extended up to an excitation energy of about 10 MeV and approximately spin 35h. In 192 Hg, two new dipole bands have been observed. Those two structures, as well as two similar structures in 193 Hg, have been connected to the low-lying states; so, excitation energy and bandhead spin of those bands have been deduced. Angular distribution and correlation analysis (specific to EUROGRAM phase I) have confirmed that the transitions are dipoles. After a general presentation of dipole bands in this A = 190 mass region, experimental results are compared with mean-field Hartree-Fock + BCS calculations, using the rotor plus quasi-particles model. The results are consistent with weakly oblate structures based on configurations which involve high-K proton orbitals driving the nucleus to an oblate shape. (author). 81 refs., 47 figs., 8 tabs., 4 ann

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

International Nuclear Information System (INIS)

Popov, Valentin N; Lambin, Philippe

2016-01-01

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

Composition-tuned band gap energy and refractive index in GaS{sub x}Se{sub 1−x} layered mixed crystals

Energy Technology Data Exchange (ETDEWEB)

Isik, Mehmet, E-mail: mehmet.isik@atilim.edu.tr [Department of Electrical and Electronics Engineering, Atilim University, 06836, Ankara (Turkey); Gasanly, Nizami [Department of Physics, Middle East Technical University, 06800, Ankara (Turkey); Virtual International Scientific Research Centre, Baku State University, 1148, Baku (Azerbaijan)

2017-04-01

Transmission and reflection measurements on GaS{sub x}Se{sub 1−x} mixed crystals (0 ≤ x ≤ 1) were carried out in the 400–1000 nm spectral range. Band gap energies of the studied crystals were obtained using the derivative spectra of transmittance and reflectance. The compositional dependence of band gap energy revealed that as sulfur (selenium) composition is increased (decreased) in the mixed crystals, band gap energy increases quadratically from 1.99 eV (GaSe) to 2.55 eV (GaS). Spectral dependencies of refractive indices of the mixed crystals were plotted using the reflectance spectra. It was observed that refractive index decreases nearly in a linear behavior with increasing band gap energy for GaS{sub x}Se{sub 1−x} mixed crystals. Moreover, the composition ratio of the mixed crystals was obtained from the energy dispersive spectroscopy measurements. The atomic compositions of the studied crystals are well-matched with composition x increasing from 0 to 1 by intervals of 0.25. - Highlights: • Transmission and reflection experiments were performed on GaS{sub x}Se{sub 1−x} mixed crystals. • Derivative spectra of transmittance and reflectance were used for analyses. • Compositional dependence of band gap energy and refractive index were reported.

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

Energy Technology Data Exchange (ETDEWEB)

Pérez, E.; Dueñas, S.; Castán, H.; García, H.; Bailón, L. [Dept. de Electricidad y Electrónica, Universidad de Valladolid, Paseo de Belén 15, 47011 Valladolid (Spain); Montero, D.; García-Hernansanz, R.; García-Hemme, E.; González-Díaz, G. [Dept. de Física Aplicada III (Electricidad y Electrónica), Univ. Complutense de Madrid, 28040 Madrid (Spain); CEI Campus Moncloa, UCM-UPM, 28040 Madrid (Spain); Olea, J. [CEI Campus Moncloa, UCM-UPM, 28040 Madrid (Spain); Instituto de Energía Solar, E.T.S.I. de Telecomunicación, Univ. Politécnica de Madrid, 28040 Madrid (Spain)

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

Triaxial energy relation to describe rotational band in 98-112Ru nuclei

International Nuclear Information System (INIS)

Singh, Yuvraj; Gupta, K.K.; Bihari, Chhail; Varshney, A.K.; Varshney, Mani; Singh, M.; Gupta, D.K.

2010-01-01

In a broader perspective rotation vibration coupling parameter (b) is considered changing with the change in excitation energy (ε 1 ) and is evaluated on fitting experimental energy for 98-112 Ru isotopes in the frame work of general asymmetric rotor model. The moment of inertia parameter (a), common to yrast and quasi-γ band, is calculated from deformation parameter (β) using general empirical relation. The present work is undertaken to suggest some suitable equation for the trajectories which are similar in shape in 98-112 Ru nuclei

Inter-band coincidences in the superdeformed well of {sup 190}Hg from gammasphere

Energy Technology Data Exchange (ETDEWEB)

Crowell, B.; Carpenter, M.P.; Janssens, R.V.F. [and others

1995-08-01

Very few experimental observables are ordinarily accessible for superdeformed (SD) states in the A {approximately} 150 and A {approximately} 190 regions. The gamma-decay out of the superdeformed bands usually proceeds directly to the normally deformed states, through highly fragmented pathways, making it difficult to determine the spins, parities and excitation energies of the SD states. The in-band E2 transitions are so collective (2 x 10{sup 3} single-particle units in the A {approximately} 190 region) that it is typically impossible to detect any of the competing M1 and E1 transitions between states in the SD well.

Augustine Band of Cahuilla Indians Energy Conservation and Options Analysis - Final Report

Energy Technology Data Exchange (ETDEWEB)

Paul Turner

2008-07-11

The Augustine Band of Cahuilla Indians was awarded a grant through the Department of Energy First Steps program in June of 2006. The primary purpose of the grant was to enable the Tribe to develop energy conservation policies and a strategy for alternative energy resource development. All of the work contemplated by the grant agreement has been completed and the Tribe has begun implementing the resource development strategy through the construction of a 1.0 MW grid-connected photovoltaic system designed to offset a portion of the energy demand generated by current and projected land uses on the Tribe’s Reservation. Implementation of proposed energy conservation policies will proceed more deliberately as the Tribe acquires economic development experience sufficient to evaluate more systematically the interrelationships between conservation and its economic development goals.

Search for two-{gamma} sum-energy peaks in the decay out of superdeformed bands

Energy Technology Data Exchange (ETDEWEB)

Blumenthal, D.; Khoo, T.L.; Lauritsen, T. [and others

1995-08-01

The spectrum of {gamma}rays decaying out of the superdeformed (SD) band in {sup 192}Hg has a quasicontinuous distribution. Whereas methods to construct level schemes from discrete lines in coincidence spectra are well established, new techniques must still be developed to extract information from coincidences involving quasicontinuous {gamma}rays. From an experiment using Eurogam, we obtained impressively clean 1- and 2-dimensional {gamma} spectra from pairwise or single gates, respectively, on the transitions of the SD band in {sup 192}Hg. We investigated methods to exploit the 2-dimensional quasicontinuum spectra coincident with the SD band to determine the excitation energy of the SD band above the normal yrast line. No strong peaks were observed in the 2-{gamma} sum spectra; only candidates of peaks at a 2-3 {sigma} level were found. This suggests that 2-{gamma} decay is not the dominant decay branch out of SD bands, consistent with the observed multiplicity of 3.2. We shall next search for peaks in sum-spectra of 3 {gamma}s.

Numerical methods for semiconductor heterostructures with band nonparabolicity

International Nuclear Information System (INIS)

Wang Weichung; Hwang Tsungmin; Lin Wenwei; Liu Jinnliang

2003-01-01

This article presents numerical methods for computing bound state energies and associated wave functions of three-dimensional semiconductor heterostructures with special interest in the numerical treatment of the effect of band nonparabolicity. A nonuniform finite difference method is presented to approximate a model of a cylindrical-shaped semiconductor quantum dot embedded in another semiconductor matrix. A matrix reduction method is then proposed to dramatically reduce huge eigenvalue systems to relatively very small subsystems. Moreover, the nonparabolic band structure results in a cubic type of nonlinear eigenvalue problems for which a cubic Jacobi-Davidson method with an explicit nonequivalence deflation method are proposed to compute all the desired eigenpairs. Numerical results are given to illustrate the spectrum of energy levels and the corresponding wave functions in rather detail

''Identical'' bands in normally-deformed nuclei

International Nuclear Information System (INIS)

Garrett, J.D.; Baktash, C.; Yu, C.H.

1990-01-01

Gamma-ray transitions energies in neighboring odd- and even-mass nuclei for normally-deformed nuclear configurations are analyzed in a manner similar to recent analyses for superdeformed states. The moment of inertia is shown to depend on pair correlations and the aligned angular momentum of the odd nucleon. The implications of this analysis for ''identical'' super-deformed bands are discussed. 26 refs., 9 figs

Pressure-induced magneto-structural transition in iron via a modified solid-state nudged elastic band method

Science.gov (United States)

Zarkevich, Nikolai A.; Johnson, Duane D.

2015-03-01

Materials under pressure may exhibit critical electronic and structural transitions that affect equation of states, as known for superconductors and the magneto-structural transformations of iron with both geophysical and planetary implications. While experiments often use constant-pressure (diamond-anvil cell, DAC) measurements, many theoretical results address a constant-volume transitions, which avoid issues with magnetic collapse but cannot be directly compared to experiment. We establish a modified solid-state nudge elastic band (MSS-NEB) method to handle magnetic systems that may exhibit moment (and volume) collapse during transformation. We apply it to the pressure-induced transformation in iron between the low-pressure body-centered cubic (bcc) and the high-pressure hexagonal close-packed (hcp) phases, find the bcc-hcp equilibrium coexistence pressure and a transitional pathway, and compare to shock and DAC experiments. We use methods developed with support by the U.S. Department of Energy (DE-FG02-03ER46026 and DE-AC02-07CH11358). Ames Laboratory is operated for the DOE by Iowa State University under contract DE-AC02-07CH11358.

Magneto-structural transformations via a solid-state nudged elastic band method: Application to iron under pressure

International Nuclear Information System (INIS)

Zarkevich, N. A.; Johnson, D. D.

2015-01-01

We extend the solid-state nudged elastic band method to handle a non-conserved order parameter, in particular, magnetization, that couples to volume and leads to many observed effects in magnetic systems. We apply this formalism to the well-studied magneto-volume collapse during the pressure-induced transformation in iron—from ferromagnetic body-centered cubic (bcc) austenite to hexagonal close-packed (hcp) martensite. We find a bcc-hcp equilibrium coexistence pressure of 8.4 GPa, with the transition-state enthalpy of 156 meV/Fe at this pressure. A discontinuity in magnetization and coherent stress occurs at the transition state, which has a form of a cusp on the potential-energy surface (yet all the atomic and cell degrees of freedom are continuous); the calculated pressure jump of 25 GPa is related to the observed 25 GPa spread in measured coexistence pressures arising from martensitic and coherency stresses in samples. Our results agree with experiments, but necessarily differ from those arising from drag and restricted parametrization methods having improperly constrained or uncontrolled degrees of freedom

Helical quantum states in HgTe quantum dots with inverted band structures.

Science.gov (United States)

Chang, Kai; Lou, Wen-Kai

2011-05-20

We investigate theoretically the electron states in HgTe quantum dots (QDs) with inverted band structures. In sharp contrast to conventional semiconductor quantum dots, the quantum states in the gap of the HgTe QD are fully spin-polarized and show ringlike density distributions near the boundary of the QD and spin-angular momentum locking. The persistent charge currents and magnetic moments, i.e., the Aharonov-Bohm effect, can be observed in such a QD structure. This feature offers us a practical way to detect these exotic ringlike edge states by using the SQUID technique.

A novel approach for characterizing broad-band radio spectral energy distributions

Science.gov (United States)

Harvey, V. M.; Franzen, T.; Morgan, J.; Seymour, N.

2018-05-01

We present a new broad-band radio frequency catalogue across 0.12 GHz ≤ ν ≤ 20 GHz created by combining data from the Murchison Widefield Array Commissioning Survey, the Australia Telescope 20 GHz survey, and the literature. Our catalogue consists of 1285 sources limited by S20 GHz > 40 mJy at 5σ, and contains flux density measurements (or estimates) and uncertainties at 0.074, 0.080, 0.119, 0.150, 0.180, 0.408, 0.843, 1.4, 4.8, 8.6, and 20 GHz. We fit a second-order polynomial in log-log space to the spectral energy distributions of all these sources in order to characterize their broad-band emission. For the 994 sources that are well described by a linear or quadratic model we present a new diagnostic plot arranging sources by the linear and curvature terms. We demonstrate the advantages of such a plot over the traditional radio colour-colour diagram. We also present astrophysical descriptions of the sources found in each segment of this new parameter space and discuss the utility of these plots in the upcoming era of large area, deep, broad-band radio surveys.

Ba2+ Doped CH3NH3PbI3 to Tune the Energy State and Improve the Performance of Perovskite Solar Cells

International Nuclear Information System (INIS)

Zhang, Hanbing; Shang, Ming-hui; Zheng, Xiaoying; Zeng, Zhaobing; Chen, Renjie; Zhang, Ying; Zhang, Jing; Zhu, Yuejin

2017-01-01

Highlights: •Ba doping enlarges the energy band gap of MAPb 1-x Ba x I 3 . •Voc and Jsc are enhanced in perovskite solar cells. •DFT calculation proves the experiment results. -- Abstract: Elements substitution and doping in perovskite CH 3 NH 3 PbI 3 exhibit versatile tunability of energy band structure and opto-electric properties. Ba 2+ is chosen to substitute Pb 2+ for its similar valence state and ionic radius with Pb 2+ . Ba 2+ doping in perovskite (mol% <5) slightly enlarges the optic energy gap by conduction band minimum(CBM) upshifting to vacuum energy level, which is due to the smaller electronegativity of Ba than Pb. The enlarged band gap is also verified by density function theory calculations. In n-i-p structure perovskite solar cells (PSCs), because of the higher CBM of doped perovskite, the Fermi energy difference between n and p side is enlarged and the electron injection from the perovskite to TiO 2 is improved. Thus, both the photovoltage and photocurrent are improved by small amount Ba 2+ doping, resulting optimized 17.4% efficiency under AM1.5. This work reveals the relationship between the doping element property and the energy band structure of the perovskite, and highlights the doping method to improve the performance of PSCs.

Band-structure-based collisional model for electronic excitations in ion-surface collisions

International Nuclear Information System (INIS)

Faraggi, M.N.; Gravielle, M.S.; Alducin, M.; Silkin, V.M.; Juaristi, J.I.

2005-01-01

Energy loss per unit path in grazing collisions with metal surfaces is studied by using the collisional and dielectric formalisms. Within both theories we make use of the band-structure-based (BSB) model to represent the surface interaction. The BSB approach is based on a model potential and provides a precise description of the one-electron states and the surface-induced potential. The method is applied to evaluate the energy lost by 100 keV protons impinging on aluminum surfaces at glancing angles. We found that when the realistic BSB description of the surface is used, the energy loss obtained from the collisional formalism agrees with the dielectric one, which includes not only binary but also plasmon excitations. The distance-dependent stopping power derived from the BSB model is in good agreement with available experimental data. We have also investigated the influence of the surface band structure in collisions with the Al(100) surface. Surface-state contributions to the energy loss and electron emission probability are analyzed

Strain effect on graphene nanoribbon carrier statistic in the presence of non-parabolic band structure

International Nuclear Information System (INIS)

Izuani Che Rosid, N A; Ahmadi, M T; Ismail, Razali

2016-01-01

The effect of tensile uniaxial strain on the non-parabolic electronic band structure of armchair graphene nanoribbon (AGNR) is investigated. In addition, the density of states and the carrier statistic based on the tight-binding Hamiltonian are modeled analytically. It is found that the property of AGNR in the non-parabolic band region is varied by the strain. The tunable energy band gap in AGNR upon strain at the minimum energy is described for each of n-AGNR families in the non-parabolic approximation. The behavior of AGNR in the presence of strain is attributed to the breakable AGNR electronic band structure, which varies the physical properties from its normality. The linear relation between the energy gap and the electrical properties is featured to further explain the characteristic of the deformed AGNR upon strain. (paper)

Band-gap creation by icosahedral symmetry in nearly-free-electron materials

International Nuclear Information System (INIS)

Carlsson, A.E.

1993-01-01

A series of numerical electronic density-of-states calculations is performed for rational approximants to a model one-electron potential based on icosahedrally arranged plane-wave components. It is found that high-order approximants can have band gaps even if the low-order approximants do not; furthermore, the magnitude of the gap increases with the order of the approximant. The results are interpreted via a two- and three-wave analysis of the energy eigenvalues at the pseudo-Jones-zone faces and edges. It is also found that the mechanism of band-gap reduction in the rational approximants is the presence of a small density of gap states. An analytic calculation shows that these gap states result from a splitting of threefold and pseudothreefold states at the valence-band edge when the icosahedral symmetry is broken. The splitting is proportional to the error with which the ratio between the approximant indices approximates τ, the golden mean. Finally, an application to the AlCuLi system is presented

Band gaps from the Tran-Blaha modified Becke-Johnson approach: A systematic investigation

Science.gov (United States)

Jiang, Hong

2013-04-01

The semi-local Becke-Johnson (BJ) exchange-correlation potential and its modified form proposed by Tran and Blaha (TB-mBJ) have attracted a lot of interest recently because of the surprisingly accurate band gaps they can deliver for many semiconductors and insulators. In this work, we have investigated the performance of the TB-mBJ potential for the description of electronic band structures in a comprehensive set of semiconductors and insulators. We point out that a perturbative use of the TB-mBJ potential can give overall better results. By investigating a set of IIB-VI and III-V semiconductors, we point out that although the TB-mBJ approach can describe the band gap of these materials quite well, the binding energies of semi-core d-states in these materials deviate strongly from experiment. The difficulty of the TB-mBJ potential to describe the localized states is likely the cause for the fact that the electronic band structures of Cu2O and La2O3 are still poorly described. Based on these observations, we propose to combine the TB-mBJ approach with the Hubbard U correction for localized d/f states, which is able to provide overall good descriptions for both the band gaps and semi-core states binding energies. We further apply the approach to calculate the band gaps of a set of Ti(IV)-oxides, many of which have complicated structures so that the more advanced methods like GW are expensive to treat directly. An overall good agreement with experiment is obtained, which is remarkable considering its little computational efforts compared to GW.

Multiple triaxial bands and abnormal signature inversion in 7433As

International Nuclear Information System (INIS)

Hu, Shi-Peng; Ma, Hai-Liang; Cao, Xue-Peng; Wu, Xiao-Guang; Zhang, Huan-Qiao; Hua, Hui; Sun, Jun-Jie; Sun, Hui-Bin; He, Chuang-Ye; Zheng, Yun; Li, Guang-Sheng; Li, Cong-Bo; Yao, Shun-He; Yu, Bei-Bei; Wang, Jin-Long; Li, Hong-We; Wu, Yi-Heng; Liu, Jia-Jian; Luo, Peng-Wei; Xu, Chuan

2014-01-01

Excited states of the odd–odd nucleus 74 As have been investigated via heavy ion fusion evaporation reaction 70 Zn( 7 Li,3n) 74 As at beam energy of 30 MeV. The properties of the positive- and the negative- parity bands can be interpreted in terms of the Cranked Nilsson–Strutinsky (CNS) model calculations which show that the observed bands are built on the triaxial deformed shape. The inversion of the favored and unfavored signature branches observed in the positive-parity bands presents at high spins rather than normal signature inversion occurs at low spins. This phenomenon may be explained as the origin of unpaired band crossing in a highly rotating triaxial nucleus.

Feeding of the superdeformed yrast band in sup 149 Gd

Energy Technology Data Exchange (ETDEWEB)

Haas, B.; Vivien, J.P.; Beck, F.A.; Benet, P.; Byrski, T.; Curien, D.; Duchene, G.; Gehringer, C.; Merdinger, J.C.; Romain, P. (Strasbourg-1 Univ., 67 (France). Centre de Recherches Nucleaires); Basu, S.K. (Strasbourg-1 Univ., 67 (France). Centre de Recherches Nucleaires Bhabha Atomic Research Centre, Calcutta (India). Variable Energy Cyclotron Centre); Kluge, H. (Strasbourg-1 Univ., 67 (France). Centre de Recherches Nucleaires Hahn-Meitner-Institut Berlin GmbH (Germany, F.R.)); Santos, D. (Strasbourg-1 Univ., 67 (France). Centre de Recherches Nucleaires Consejo Nacional de Investigaciones Cientificas y Tecnicas, Buenos Aires (Argentina)); Flibotte, S. (Hahn-Meitner-Institut Berlin GmbH (Germany, F.R.)); Gascon, J.; Taras, P. (Montreal Univ., Quebec (Canada). Lab. de Physique Nucleaire); Bozek, E.; Zuber, K. (Institute of Nuclear Physics, Krakow (Poland))

1990-08-02

The feeding pattern of the superdeformed yrast band in {sup 149}Gd has been found to remain essentially the same, using the {sup 124}Sn+{sup 30}Si reaction at beam energies of 150, 155 and 160 MeV leading to different input angular momenta and excitation energies in the compound nuclear system. This similarity as well as the relative yields of the superdeformed states as a function of beam energy may be understood in terms of the nuclear level density dependence on deformation and the onset of fission. In addition, it has been shown that, at all three beam energies, the selection of high-energy gamma rays does not enhance the yield of the superdeformed yrast states. (orig.).

A Comprehensive Analysis of the Correlations between Resting-State Oscillations in Multiple-Frequency Bands and Big Five Traits.

Science.gov (United States)

Ikeda, Shigeyuki; Takeuchi, Hikaru; Taki, Yasuyuki; Nouchi, Rui; Yokoyama, Ryoichi; Kotozaki, Yuka; Nakagawa, Seishu; Sekiguchi, Atsushi; Iizuka, Kunio; Yamamoto, Yuki; Hanawa, Sugiko; Araki, Tsuyoshi; Miyauchi, Carlos Makoto; Sakaki, Kohei; Nozawa, Takayuki; Yokota, Susumu; Magistro, Daniele; Kawashima, Ryuta

2017-01-01

Recently, the association between human personality traits and resting-state brain activity has gained interest in neuroimaging studies. However, it remains unclear if Big Five personality traits are represented in frequency bands (~0.25 Hz) of resting-state functional magnetic resonance imaging (fMRI) activity. Based on earlier neurophysiological studies, we investigated the correlation between the five personality traits assessed by the NEO Five-Factor Inventory (NEO-FFI), and the fractional amplitude of low-frequency fluctuation (fALFF) at four distinct frequency bands (slow-5 (0.01-0.027 Hz), slow-4 (0.027-0.073 Hz), slow-3 (0.073-0.198 Hz) and slow-2 (0.198-0.25 Hz)). We enrolled 835 young subjects and calculated the correlations of resting-state fMRI signals using a multiple regression analysis. We found a significant and consistent correlation between fALFF and the personality trait of extraversion at all frequency bands. Furthermore, significant correlations were detected in distinct brain regions for each frequency band. This finding supports the frequency-specific spatial representations of personality traits as previously suggested. In conclusion, our data highlight an association between human personality traits and fALFF at four distinct frequency bands.

Band gap and band offset of (GaIn)(PSb) lattice matched to InP

Science.gov (United States)

Köhler, F.; Böhm, G.; Meyer, R.; Amann, M.-C.

2005-07-01

Metastable (GaxIn1-x)(PySb1-y) layers were grown on (001) InP substrates by gas source molecular beam epitaxy. Low-temperature photoluminescence spectroscopy was applied to these heterostructures and revealed spatially indirect band-to-band recombination of electrons localized in the InP with holes in the (GaxIn1-x)(PySb1-y). In addition, samples with layer thicknesses larger than 100nm showed direct PL across the band gap of (GaxIn1-x)(PySb1-y). Band-gap energies and band offset energies of (GaxIn1-x)(PySb1-y) relative to InP were derived from these PL data. A strong bowing parameter was observed.

Bands dispersion and charge transfer in β-BeH2

Science.gov (United States)

Trivedi, D. K.; Galav, K. L.; Joshi, K. B.

2018-04-01

Predictive capabilities of ab-initio method are utilised to explore bands dispersion and charge transfer in β-BeH2. Investigations are carried out using the linear combination of atomic orbitals method at the level of density functional theory. The crystal structure and related parameters are settled by coupling total energy calculations with the Murnaghan equation of state. Electronic bands dispersion from PBE-GGA is reported. The PBE-GGA, and PBE0 hybrid functional, show that β-BeH2 is a direct gap semiconductor with 1.18 and 2.40 eV band gap. The band gap slowly decreases with pressure and beyond l00 GPa overlap of conduction and valence bands at the r point is observed. Charge transfer is studied by means of Mullikan population analysis.

New high spin states and band termination in 83Y and 84Zr

International Nuclear Information System (INIS)

Johnson, T.D.; Aprahamian, A.; Lister, C.J.; Blumenthal, D.J.; Crowell, B.; Chowdhury, P.; Fallon, P.; Machiavelli, A.O.

1997-01-01

The gamma decay of high spin yrast states in 83 Y up to I π =59/2 + and 53/2 - have been observed using the reaction 58 Ni( 29 Si,3p) at 110 MeV and the Gammasphere Early Implementation Array. The level scheme has been substantially extended due to the observations of several new transitions in all of the bands. A sequence of transitions feeding into the positive parity yrast band above I π =47/2 + seems to be consistent with a noncollective oblate structure expected at these high spins. A similar cascade is found in the data for 84 Zr. A new forking of the favored negative parity band is found which may be due to neutron alignment polarizing the core to a different shape. This suggests that the open-quotes isomeric close-quote close-quote band in 83 Y, for which one more connecting transition was found, is of a similar nature to other high-K bands found in this region. Lifetime measurements in the unfavored negative parity band are consistent with cranking calculations which predict a nearly oblate shape with a deformation parameter β 2 ∼0.2. A qualitative analysis of line shapes at very high spins suggests the persistence of collectivity in the yrast sequence to the highest excitations seen. copyright 1997 The American Physical Society

Optical band gap energy and ur bach tail of CdS:Pb2+ thin films

Energy Technology Data Exchange (ETDEWEB)

Chavez, M.; Juarez, H.; Pacio, M. [Universidad Autonoma de Puebla, Instituto de Ciencias, Centro de Investigacion en Dispositivos Semiconductores, Av. 14 Sur, Col. Jardines de San Manuel, Ciudad Universitaria, Puebla, Pue. (Mexico); Gutierrez, R.; Chaltel, L.; Zamora, M.; Portillo, O. [Universidad Autonoma de Puebla, Facultad de Ciencias Quimicas, Laboratorio de Materiales, Apdo. Postal 1067, 72001 Puebla, Pue. (Mexico); Mathew, X., E-mail: osporti@yahoo.mx [UNAM, Instituto de Energias Renovables, Temixco, Morelos (Mexico)

2016-11-01

Pb S-doped CdS nano materials were successfully synthesized using chemical bath. Transmittance measurements were used to estimate the optical band gap energy. Tailing in the band gap was observed and found to obey Ur bach rule. The diffraction X-ray show that the size of crystallites is in the ∼33 nm to 12 nm range. The peaks belonging to primary phase are identified at 2θ = 26.5 degrees Celsius and 2θ = 26.00 degrees Celsius corresponding to CdS and Pb S respectively. Thus, a shift in maximum intensity peak from 2θ = 26.4 to 28.2 degrees Celsius is clear indication of possible transformation of cubic to hexagonal phase. Also peaks at 2θ = 13.57, 15.9 degrees Celsius correspond to lead perchlorate thiourea. The effects on films thickness and substrate doping on the band gap energy and the width on tail were investigated. Increasing doping give rise to a shift in optical absorption edge ∼0.4 eV. (Author)

Superdeformed bands in sub 64 sup 147 Gd sub 83 , a possible test of the existence of octupole correlations in superdeformed bands

Energy Technology Data Exchange (ETDEWEB)

Zuber, K.; Balouka, D.; Beck, F.A.; Byrski, T.; Curien, D.; Duchene, G.; Gehringer, C.; Haas, B.; Merdinger, J.C.; Romain, P.; Santos, D.; Styczen, J.; Vivien, J.P.; Dudek, J.; Szymanski, Z.; Werner, T. (Strasbourg-1 Univ., 67 (France). Centre de Recherches Nucleaires)

1990-12-24

Two discrete superdeformed bands (SD) have been identified in the nucleus {sup 147}Gd. The transitions energies of the SD yrast band lie halfway between the {gamma}-ray energies of the yrast SD band in {sup 146}Gd while the transition energies of the excited band lie half way between the transition energies of the yrast SD band in {sup 148}Gd. These two bands are shown to exhibit the presence of the pseudo SU(3) symmetry and also indicate the possible existence of octupole correlations at large elongations and high spins. (orig.).

Search for superdeformed bands in {sup 154}Dy

Energy Technology Data Exchange (ETDEWEB)

Nisius, D.; Janssens, R.V.F.; Khoo, T.L. [and others

1995-08-01

The island of superdeformation in the vicinity of the doubly magic {sup 152}Dy yrast superdeformed (SD) band is thought to be well understood in the framework of cranked mean field calculations. In particular, the calculations suggested that in {sup 154}Dy there should be no yrast or near yrast SD minimum in the 40-60 h spin range, where SD bands in this mass region are thought to be {sup 153}Dy nucleus, it is populated. However, with the presence of five SD bands in the neighboring necessary to ascertain if the addition of one single neutron diminishes the importance of shell effects to the extent that superdeformation can no longer be sustained. In an experiment utilizing the increased resolving power of the early implementation phase of Gammasphere, the reaction {sup 122}Sn({sup 36}S,4n) at 165 MeV was employed to populate high spin states in {sup 154}Dy. In a four-day run with 36 detectors, over one billion triple and higher fold coincidence events were recorded. One new SD band was identified and was assigned to {sup 154}Dy. From comparisons with the Im{sup (2)} moments of inertia of the SD bands in {sup 152}Dy and {sup 153}Dy, a configuration based on (514)9/2{sup 2} neutrons coupled to the {sup 152}Dy SD core was proposed. One unexpected and as yet unexplained feature of this new SD band is that the transition energies are almost identical to those of an excited SD band in {sup 153}Dy. It is also worth noting that the feeding of the yrast states is similar to that achieved by the deexcitation from the ensemble of all entry states in the reaction. This observation emphasizes the statistical nature of the decay-out process. A paper reporting these results was accepted for publication.

Effect of Γ-X band mixing on the donor binding energy in a Quantum Wire

Science.gov (United States)

Vijaya Shanthi, R.; Jayakumar, K.; Nithiananthi, P.

2015-02-01

To invoke the technological applications of heterostructure semiconductors like Quantum Well (QW), Quantum Well Wire (QWW) and Quantum Dot (QD), it is important to understand the property of impurity energy which is responsible for the peculiar electronic & optical behavior of the Low Dimensional Semiconductor Systems (LDSS). Application of hydrostatic pressure P>35kbar drastically alters the band offsets leading to the crossover of Γ band of the well & X band of the barrier resulting in an indirect transition of the carrier and this effect has been studied experimentally and theoretically in a QW structure. In this paper, we have investigated the effect of Γ-X band mixing due to the application of hydrostatic pressure in a GaAs/AlxGa1-xAs QWW system. The results are presented and discussed for various widths of the wire.

Description of multi-quasiparticle bands by the tilted axis cranking model

International Nuclear Information System (INIS)

Frauendorf, S.

2000-01-01

The selfconsistent cranking approach is extended to the case of rotation about an axis which is tilted with respect to the principal axes of the deformed potential (Tilted Axis Cranking). Expressions for the energies and the intra bands electro-magnetic transition probabilities are given. The mean field solutions are interpreted in terms of quantal rotational states. The construction of the quasiparticle configurations and the elimination of spurious states is discussed. The application of the theory to high spin data is demonstrated by analyzing the multi-quasiparticle bands in the nuclides with N=102,103 and Z=71,72,73

Interfacial chemical bonding state and band alignment of CaF2/hydrogen-terminated diamond heterojunction

International Nuclear Information System (INIS)

Liu, J. W.; Liao, M. Y.; Cheng, S. H.; Imura, M.; Koide, Y.

2013-01-01

CaF 2 films are deposited on hydrogen-terminated diamond (H-diamond) by a radio-frequency sputter-deposition technique at room temperature. Interfacial chemical bonding state and band alignment of CaF 2 /H-diamond heterojunction are investigated by X-ray photoelectron spectroscopy. It is confirmed that there are only C-Ca bonds at the CaF 2 /H-diamond heterointerface. Valence and conductance band offsets of the CaF 2 /H-diamond heterojunciton are determined to be 3.7 ± 0.2 and 0.3 ± 0.2 eV, respectively. It shows a type I straddling band configuration. The large valence band offset suggests advantage of the CaF 2 /H-diamond heterojunciton for the development of high power and high frequency field effect transistors.

The transition between energy efficient and energy inefficient states in Cameroon

International Nuclear Information System (INIS)

Adom, Philip Kofi

2016-01-01

I use a two-state (energy efficient/inefficient) Markov-switching dynamic model to study energy efficiency in Cameroon in a novel manner, employing yearly data covering 1971 to 2012. I find that the duration of an energy inefficient state is about twice as long as an energy efficient state, mainly due to fuel subsidies, low income, high corruption, regulatory inefficiencies, poorly developed infrastructure and undeveloped markets. To escape from an energy inefficient state a broad policy overhaul is needed. Trade liberalization and related growth policies together with the removal of fuel subsidies are useful, but insufficient policy measures; the results suggest that they should be combined with structural policies, aiming at institutional structure and investment in infrastructure. - Highlights: • I investigate the transition between energy efficient/inefficient states. • On the average, energy inefficient state persists more than energy efficient state. • The duration of energy inefficient state is about twice as long as energy efficient state. • Price, income and trade openness have distinct energy saving effect irrespective of state. • A broad policy overhaul is needed to escape the energy inefficient state.

Band-edge photoluminescence in CdTe

International Nuclear Information System (INIS)

Horodysky, P.; Grill, R.; Hlidek, P.

2006-01-01

Near band-gap photoluminescence (PL) and absorption of bulk crystals of CdTe were measured over a wide range of temperatures (4-500 K). It is demonstrated that the high-temperature (above 150 K) PL intensity correlates with a lower quality of the samples and quasiparticle localization induced by the crystal potential fluctuations. The influence of the high absorption coefficient at the free-exciton resonance energy on the PL spectra is analytically studied by solving the diffusion-recombination equation. We show that the reabsorption of the radiation by the free-exciton states creates two illusory PL maxima. No dead surface layer is needed to explain reabsorption effects. The room-temperature PL maximum matches neither the free-exciton resonance nor the band-gap energy. The high temperature PL is explained by the recombination of electrons and holes localized on potential fluctuations. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Martensitic transformation between competing phases in Ti–Ta alloys: a solid-state nudged elastic band study

International Nuclear Information System (INIS)

Chakraborty, Tanmoy; Rogal, Jutta; Drautz, Ralf

2015-01-01

A combined density functional theory and solid-state nudged elastic band study is presented to investigate the martensitic transformation between β → (α″, ω) phases in the Ti–Ta system. The minimum energy paths along the transformation are calculated and the transformation mechanisms as well as relative stabilities of the different phases are discussed for various compositions. The analysis of the transformation paths is complemented by calculations of phonon spectra to determine the dynamical stability of the β, α″, and ω phase. Our theoretical results confirm the experimental findings that with increasing Ta concentration there is a competition between the destabilisation of the α″ and ω phase and the stabilisation of the high-temperature β phase. (paper)

Band head spin assignment of superdeformed bands in 133Pr using two-parameter formulae

Science.gov (United States)

Sharma, Honey; Mittal, H. M.

2018-03-01

The two-parameter formulae viz. the power index formula, the nuclear softness formula and the VMI model are adopted to accredit the band head spin (I0) of four superdeformed rotational bands in 133Pr. The technique of least square fitting is used to accredit the band head spin for four superdeformed rotational bands in 133Pr. The root mean deviation among the computed transition energies and well-known experimental transition energies are attained by extracting the model parameters from the two-parameter formulae. The determined transition energies are in excellent agreement with the experimental transition energies, whenever exact spins are accredited. The power index formula coincides well with the experimental data and provides minimum root mean deviation. So, the power index formula is more efficient tool than the nuclear softness formula and the VMI model. The deviation of dynamic moment of inertia J(2) against the rotational frequency is also examined.

High-Efficiency, Ka-band Solid-State Power Amplifier Utilizing GaN Technology, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — QuinStar Technology proposes to develop an efficient, solid-state power amplifier (SSPA), operating at Ka-band frequencies, for high data rate, long range space...

Local density of optical states in the band gap of a finite one-dimensional photonic crystal

NARCIS (Netherlands)

Yeganegi Dastgerdi, Elahe; Lagendijk, Aart; Mosk, Allard; Vos, Willem L.

2014-01-01

We study the local density of states (LDOS) in a finite photonic crystal, in particular in the frequency range of the band gap. We propose an original point of view on the band gap, which we consider to be the result of vacuum fluctuations in free space that tunnel in the forbidden range in the

Optical model with multiple band couplings using soft rotator structure

Science.gov (United States)

Martyanov, Dmitry; Soukhovitskii, Efrem; Capote, Roberto; Quesada, Jose Manuel; Chiba, Satoshi

2017-09-01

A new dispersive coupled-channel optical model (DCCOM) is derived that describes nucleon scattering on 238U and 232Th targets using a soft-rotator-model (SRM) description of the collective levels of the target nucleus. SRM Hamiltonian parameters are adjusted to the observed collective levels of the target nucleus. SRM nuclear wave functions (mixed in K quantum number) have been used to calculate coupling matrix elements of the generalized optical model. Five rotational bands are coupled: the ground-state band, β-, γ-, non-axial- bands, and a negative parity band. Such coupling scheme includes almost all levels below 1.2 MeV of excitation energy of targets. The "effective" deformations that define inter-band couplings are derived from SRM Hamiltonian parameters. Conservation of nuclear volume is enforced by introducing a monopolar deformed potential leading to additional couplings between rotational bands. The present DCCOM describes the total cross section differences between 238U and 232Th targets within experimental uncertainty from 50 keV up to 200 MeV of neutron incident energy. SRM couplings and volume conservation allow a precise calculation of the compound-nucleus (CN) formation cross sections, which is significantly different from the one calculated with rigid-rotor potentials with any number of coupled levels.

High-spin structure of 121Xe: triaxiality, band termination and signature inversion

International Nuclear Information System (INIS)

Timar, J.; Paul, E.S.; Beausang, C.W.; Joyce, M.J.; Sharpey-Schafer, J.F.

1995-01-01

High-spin states of the odd-neutron 121 Xe nucleus have been studied with Eurogam using the 96 Zr( 30 Si, 5n) 121 Xe fusion-evaporation reaction. The level scheme has been extended up to a tentative spin of 67/2h at an excitation energy of ∼ 14 MeV. Several new rotational bands have been observed and the previously known bands extended. Two of them lose their regular character at high spins, which may be interpreted as transition from collective behaviour to a regime of noncollective oblate states. The deduced high-spin structure is compared to Woods-Saxon TRS cranking and CSM calculations. Configurations of the bands have been suggested. The νh 1 1/2 band is interpreted as having a triaxial shape. Signature inversion and an unexpectedly large staggering of the B(M1)/B(E2) ratios has been found for one of the bands. Enhanced E1 transitions have been observed between the νd 5/2 and the νh 1 1/2 bands. (orig.)

High-Efficiency, Ka-Band Solid-State Power Amplifier Utilizing GaN Technology, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — QuinStar Technology proposes to develop a high-efficiency, solid-state power amplifier (SSPA), operating at Ka-band frequencies, for high data rate, long range space...

Thermodynamics of many-band superconductors

International Nuclear Information System (INIS)

Waelte, A.

2006-01-01

In the present thesis the microscopical properties of the superconducting state of MgCNi 3 , MgB 2 , and some rare earth-transition metal borocarbides are studied by means of measurements of the specific heat. Furthermore the frequency spectrum of the lattice vibrations is estimated. The energy gap of the superconducting state can be determined from the specific heat of the superconducting state, which yields as like as the upper critical mafnetic field H c2 (0) hints on the electron-phonon coupling. From the analysis of these results and the comparison with results from transport measurements as well as the tunnel and point-contact spectroscopy can be concluded, how far the BCS model of superconductivity must be modified in order to be able to describe the superconducting state of the studied compounds. Studies on MgCNi 3 , which lies near a magnetic instability, show that occurring magnetic fluctuations have a bisection of the superconducting transition temperature T C as consequence. The under this aspect relatively high value of T C =7 K is a consequence of strong electron-phonon coupling, which is essentailly carried by nickel vibrations stabilized by carbon. A for the first time observed distinct anomaly in the specific heat of the classical many-band superconductor MgB 2 (here with pure 10 B) at about T c /4=10 K can be understood by means of a two-band model for the case of especially weak coupling between both bands. The analysis of the specific heat of the superconducting phase of the non-magnetic rare earth-nickel borocarbide YNi 2 B 2 C and LuNi 2 B 2 C leads to the conclusion thet visible effects of the many-band electron system are dependent on the mass on the position both of the rare earth and the transition metal. The signal of the superconducting phase transformation visible in the specific heat of the antiferromagnetic HoNi 2 B 2 C is smaller than expected

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

Science.gov (United States)

Fujimori, Shin-ichi

2016-04-20

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

A Comprehensive Analysis of the Correlations between Resting-State Oscillations in Multiple-Frequency Bands and Big Five Traits

Directory of Open Access Journals (Sweden)

Shigeyuki Ikeda

2017-06-01

Full Text Available Recently, the association between human personality traits and resting-state brain activity has gained interest in neuroimaging studies. However, it remains unclear if Big Five personality traits are represented in frequency bands (~0.25 Hz of resting-state functional magnetic resonance imaging (fMRI activity. Based on earlier neurophysiological studies, we investigated the correlation between the five personality traits assessed by the NEO Five-Factor Inventory (NEO-FFI, and the fractional amplitude of low-frequency fluctuation (fALFF at four distinct frequency bands (slow-5 (0.01–0.027 Hz, slow-4 (0.027–0.073 Hz, slow-3 (0.073–0.198 Hz and slow-2 (0.198–0.25 Hz. We enrolled 835 young subjects and calculated the correlations of resting-state fMRI signals using a multiple regression analysis. We found a significant and consistent correlation between fALFF and the personality trait of extraversion at all frequency bands. Furthermore, significant correlations were detected in distinct brain regions for each frequency band. This finding supports the frequency-specific spatial representations of personality traits as previously suggested. In conclusion, our data highlight an association between human personality traits and fALFF at four distinct frequency bands.

Ti α - ω phase transformation and metastable structure, revealed by the solid-state nudged elastic band method

Science.gov (United States)

Zarkevich, Nikolai; Johnson, Duane D.

Titanium is on of the four most utilized structural metals, and, hence, its structural changes and potential metastable phases under stress are of considerable importance. Using DFT+U combined with the generalized solid-state nudged elastic band (SS-NEB) method, we consider the pressure-driven transformation between Ti α and ω phases, and find an intermediate metastable body-centered orthorhombic (bco) structure of lower density. We verify its stability, assess the phonons and electronic structure, and compare computational results to experiment. Interestingly, standard density functional theory (DFT) yields the ω phase as the Ti ground state, in contradiction to the observed α phase at low pressure and temperature. We correct this by proper consideration of the strongly correlated d-electrons, and utilize DFT+U method in the SS-NEB to obtain the relevant transformation pathway and structures. We use methods developed with support by the U.S. Department of Energy (DE-FG02-03ER46026 and DE-AC02-07CH11358). Ames Laboratory is operated for the DOE by Iowa State University under Contract DE-AC02-07CH11358.

Tracking intruder states

Energy Technology Data Exchange (ETDEWEB)

Riedinger, L L; Mueller, W F; Yu, C H [Tennessee Univ., Knoxville, TN (United States). Dept. of Physics

1992-08-01

The deformation-driving effects of intruder states are studied by analysis of various types of data on rotational bands in rare-earth deformed nuclei. The sensitivity of four measurables (bandhead energy, B(E2) value, neutron i{sub 13/2} crossing frequency, and signature splitting) to increased deformation in an intruder band is shown. The analysis of signature splitting systematics is extended to known superdeformed bands. (author). 22 refs., 5 figs.

Impact of Antibody Bioconjugation on Emission and Energy Band Profile of CdSeTe/ZnS Quantum Dots

Science.gov (United States)

Torchynska, T. V.; Gomez, J. A. Jaramillo; Polupan, G.; Macotela, L. G. Vega

2018-03-01

The variation of the photoluminescence (PL) and Raman scattering spectra of CdSeTe/ZnS quantum dots (QDs) on conjugation to an antibody has been investigated. Two types of CdSeTe/ZnS QD with different emission wavelength (705 nm and 800 nm) were studied comparatively before and after conjugation to anti-pseudorabies virus antibody (AB). Nonconjugated QDs were characterized by Gaussian-type PL bands. PL shifts to higher energy and asymmetric shape of PL bands was detected in PL spectra of bioconjugated QDs. The surface-enhanced Raman scattering effect was exhibited by the bioconjugated CdSeTe/ZnS QDs, indicating that the excitation light used in the Raman study generated electric dipoles in the AB molecules. The optical bandgap of the CdSeTe core was calculated numerically as a function of its radius based on an effective mass approximation model. The energy band diagrams for non- and bioconjugated CdSeTe/ZnS QDs were obtained, revealing a type II quantum well in the CdSeTe core. The calculations show that AB dipoles, excited in the bioconjugated QDs, stimulate a change in the energy band diagram of the QDs that alters the PL spectrum. These results could be useful for improving the sensitivity of QD biosensors.

Design, realization and test of C-band accelerating structures for the SPARC-LAB linac energy upgrade

International Nuclear Information System (INIS)

Alesini, D.; Bellaveglia, M.; Biagini, M.E.; Boni, R.; Brönnimann, M.; Cardelli, F.; Chimenti, P.; Clementi, R.; Di Pirro, G.; Di Raddo, R.; Ferrario, M.; Ficcadenti, L.; Gallo, A.; Kalt, R.; Lollo, V.; Palumbo, L.; Piersanti, L.; Schilcher, T.

2016-01-01

The energy upgrade of the SPARC-LAB photo-injector at LNF-INFN (Frascati, Italy) has been originally conceived replacing one low gradient (13 MV/m) 3 m long SLAC type S-band traveling wave (TW) section with two 1.4 m long C-band accelerating sections. Due to the higher gradients reached by such structures, a higher energy beam can be obtained within the same accelerator footprint length. The use of C-band structures for electron acceleration has been adopted in a few FEL linacs in the world, among others, the Japanese Free Electron Laser at SPring-8 and the SwissFEL at Paul Scherrer Institute (PSI). The C-band sections are traveling wave, constant impedance structures with symmetric input and output axial couplers. Their design has been optimized for the operation with a SLED RF pulse compressor. In this paper we briefly review their design criteria and we focus on the construction, tuning, low and high-power RF tests. We also illustrate the design and realization of the dedicated low level RF system that has been done in collaboration with PSI in the framework of the EU TIARA project. Preliminary experimental results appear to confirm the operation of such structures with accelerating gradients larger than 35 MV/m.

Design, realization and test of C-band accelerating structures for the SPARC-LAB linac energy upgrade

Energy Technology Data Exchange (ETDEWEB)

Alesini, D.; Bellaveglia, M.; Biagini, M.E.; Boni, R. [INFN Laboratori Nazionali di Frascati, Via Enrico Fermi 40, 00044, Frascati (Italy); Brönnimann, M. [Paul Scherrer Institut, 5232 Villigen (Switzerland); Cardelli, F. [INFN Sezione di Roma, P.le Aldo Moro 2, 00185, Roma (Italy); Università di Roma “La Sapienza”, P.le Aldo Moro 2, 00185, Roma (Italy); Chimenti, P.; Clementi, R.; Di Pirro, G.; Di Raddo, R.; Ferrario, M. [INFN Laboratori Nazionali di Frascati, Via Enrico Fermi 40, 00044, Frascati (Italy); Ficcadenti, L. [INFN Sezione di Roma, P.le Aldo Moro 2, 00185, Roma (Italy); Università di Roma “La Sapienza”, P.le Aldo Moro 2, 00185, Roma (Italy); Gallo, A. [INFN Laboratori Nazionali di Frascati, Via Enrico Fermi 40, 00044, Frascati (Italy); Kalt, R. [Paul Scherrer Institut, 5232 Villigen (Switzerland); Lollo, V. [INFN Laboratori Nazionali di Frascati, Via Enrico Fermi 40, 00044, Frascati (Italy); Palumbo, L. [INFN Sezione di Roma, P.le Aldo Moro 2, 00185, Roma (Italy); Università di Roma “La Sapienza”, P.le Aldo Moro 2, 00185, Roma (Italy); Piersanti, L., E-mail: luca.piersanti@lnf.infn.it [INFN Sezione di Roma, P.le Aldo Moro 2, 00185, Roma (Italy); Università di Roma “La Sapienza”, P.le Aldo Moro 2, 00185, Roma (Italy); Schilcher, T. [Paul Scherrer Institut, 5232 Villigen (Switzerland)

2016-11-21

The energy upgrade of the SPARC-LAB photo-injector at LNF-INFN (Frascati, Italy) has been originally conceived replacing one low gradient (13 MV/m) 3 m long SLAC type S-band traveling wave (TW) section with two 1.4 m long C-band accelerating sections. Due to the higher gradients reached by such structures, a higher energy beam can be obtained within the same accelerator footprint length. The use of C-band structures for electron acceleration has been adopted in a few FEL linacs in the world, among others, the Japanese Free Electron Laser at SPring-8 and the SwissFEL at Paul Scherrer Institute (PSI). The C-band sections are traveling wave, constant impedance structures with symmetric input and output axial couplers. Their design has been optimized for the operation with a SLED RF pulse compressor. In this paper we briefly review their design criteria and we focus on the construction, tuning, low and high-power RF tests. We also illustrate the design and realization of the dedicated low level RF system that has been done in collaboration with PSI in the framework of the EU TIARA project. Preliminary experimental results appear to confirm the operation of such structures with accelerating gradients larger than 35 MV/m.

Hydrostatic pressure effects on the {gamma}-X conduction band mixing and the binding energy of a donor impurity in GaAs-Ga{sub 1-x}Al{sub x}As quantum wells

Energy Technology Data Exchange (ETDEWEB)

Duque, C.A. [Instituto de Fisica, Universidad de Antioquia, AA 1226, Medellin (Colombia); Lopez, S.Y. [Facultad de Educacion, Universidad de Antioquia, AA 1226, Medellin (Colombia); Mora-Ramos, M.E. [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, C.P. 62210, Cuernavaca (Mexico)

2007-06-15

Mixing between {gamma} and X valleys of the conduction band in GaAs-Ga{sub 1-x}Al{sub x}As quantum wells is investigated taken into account the effect of applied hydrostatic pressure. This effect is introduced via the pressure-dependent values of the corresponding energy gaps and the main band parameters. The mixing is considered along the lines of a phenomenological model. Variation of the confined ground state in the well as a function of the pressure is reported. The dependencies of the variationally calculated binding energy of a donor impurity with the hydrostatic pressure and well width are also presented. It is shown that the inclusion of the {gamma}-X mixing explains the non-linear behavior in the photoluminescence peak of confined exciton states that has been observed for pressures above 20 kbar. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Centrifugal stretching along the ground state band of 168Hf

International Nuclear Information System (INIS)

Costin, A.; Pietralla, N.; Reese, M.; Moeller, O.; Ai, H.; Casten, R. F.; Heinz, A.; McCutchan, E. A.; Meyer, D. A.; Qian, J.; Werner, V.; Dusling, K.; Fitzpatrick, C. R.; Guerdal, G.; Petkov, P.; Rainovski, G.

2009-01-01

The lifetimes of the J π =4 + , 6 + , 8 + , and 10 + levels along the ground state band in 168 Hf were measured by means of the recoil distance Doppler shift (RDDS) method using the New Yale Plunger Device (NYPD) and the SPEEDY detection array at Wright Nuclear Structure Laboratory of Yale University. Excited states in 168 Hf were populated using the 124 Sn( 48 Ti,4n) fusion evaporation reaction. The new lifetime values are sufficiently precise to clearly prove the increase of quadrupole deformation as a function of angular momentum in the deformed nucleus 168 Hf. The data agree with the predictions from the geometrical confined β-soft (CBS) rotor model that involves centrifugal stretching in a soft potential

State Clean Energy Policies Analysis (SCEPA). State Policy and the Pursuit of Renewable Energy Manufacturing

Energy Technology Data Exchange (ETDEWEB)

Lantz, Eric [National Renewable Energy Lab. (NREL), Golden, CO (United States); Oteri, Frank [National Renewable Energy Lab. (NREL), Golden, CO (United States); Tegen, Suzanne [National Renewable Energy Lab. (NREL), Golden, CO (United States); Doris, Elizabeth [National Renewable Energy Lab. (NREL), Golden, CO (United States)

2010-02-01

Future manufacturing of renewable energy equipment in the United States provides economic development opportunities for state and local communities. However, demand for the equipment is finite, and opportunities are limited. U.S. demand is estimated to drive total annual investments in renewable energy equipment to $14-$20 billion by 2030. Evidence from leading states in renewable energy manufacturing suggests that economic development strategies that target renewable energy sector needs by adapting existing policies attract renewable energy manufacturing more than strategies that create new policies. Literature suggests that the states that are most able to attract direct investment and promote sustained economic development can leverage diverse sets of durable assets—like human capital and modern infrastructure–as well as low barriers to market entry. State marketing strategies for acquiring renewable energy manufacturers are likely best served by an approach that: (1) is multi-faceted and long-term, (2) fits within existing broad-based economic development strategies, (3) includes specific components such as support for renewable energy markets and low barriers to renewable energy deployment, and (4) involves increased differentiation by leveraging existing assets when applicable.

State Clean Energy Policies Analysis (SCEPA): State Policy and the Pursuit of Renewable Energy Manufacturing

Energy Technology Data Exchange (ETDEWEB)

Lantz, E.; Oteri, F.; Tegen, S.; Doris, E.

2010-02-01

Future manufacturing of renewable energy equipment in the United States provides economic development opportunities for state and local communities. However, demand for the equipment is finite, and opportunities are limited. U.S. demand is estimated to drive total annual investments in renewable energy equipment to $14-$20 billion by 2030. Evidence from leading states in renewable energy manufacturing suggests that economic development strategies that target renewable energy sector needs by adapting existing policies attract renewable energy manufacturing more than strategies that create new policies. Literature suggests that the states that are most able to attract direct investment and promote sustained economic development can leverage diverse sets of durable assets--like human capital and modern infrastructure--as well as low barriers to market entry. State marketing strategies for acquiring renewable energy manufacturers are likely best served by an approach that: (1) is multi-faceted and long-term, (2) fits within existing broad-based economic development strategies, (3) includes specific components such as support for renewable energy markets and low barriers to renewable energy deployment, and (4) involves increased differentiation by leveraging existing assets when applicable.

CdS_xTe_1_-_x ternary semiconductors band gaps calculation using ground state and GW approximations

International Nuclear Information System (INIS)

Kheloufi, Nawal; Bouzid, Abderrazak

2016-01-01

We present band gap calculations of zinc-blende ternary CdS_xTe_1_-_x semiconductors within the standard DFT and quasiparticle calculations employing pseudopotential method. The DFT, the local density approximation (LDA) and the Generalized Gradient Approximation (GGA) based calculations have given very poor results compared to experimental data. The quasiparticle calculations have been investigated via the one-shot GW approximation. The present paper discuses and confirms the effect of inclusion of the semicore states in the cadmium (Cd) pseudopotential. The obtained GW quasiparticle band gap using Cd"+"2"0 pseudopotential has been improved compared to the obtained results from the available pseudopotential without the treatment of semicore states. Our DFT and quasiparticle band gap results are discussed and compared to the available theoretical calculations and experimental data. - Graphical abstract: Band gaps improvement concerning the binary and ternary alloys using the GW approximation and Cd"2"0"+ pseudopotential with others levels of approximations (the LDA and GGA approximation employing the Cd"1"2"+ and the LDA within Cd"2"0"+ pseudopotential). - Highlights: • The direct Γ- Γ and indirect Γ- X and Γ- L bands gaps show a nonlinear behavior when S content is enhanced. • The quasiparticle band gap result for the investigated semiconductors is improved using the GW approximation. • All CdS_xTe_1_-_x compounds in all compositions range from 0 to 1 are direct band gap semiconductors.

Electric-dipole effect of defects on the energy band alignment of rutile and anatase TiO₂.

Science.gov (United States)

Zhang, Daoyu; Yang, Minnan; Dong, Shuai

2015-11-21

Titanium dioxide materials have been studied intensively and extensively for photocatalytic applications. A long-standing open question is the energy band alignment of rutile and anatase TiO2 phases, which can affect the photocatalytic process in the composite system. There are basically two contradictory viewpoints about the alignment of these two TiO2 phases supported by the respective experiments: (1) straddling type and (2) staggered type. In this work, our DFT plus U calculations show that the perfect rutile(110) and anatase(101) surfaces have the straddling type band alignment, whereas the surfaces with defects can turn the band alignment into the staggered type. The electric dipoles induced by defects are responsible for the reversal of band alignment. Thus the defects introduced during the preparation and post-treatment processes of materials are probably the answer to the above open question regarding the band alignment, which can be considered in real practice to tune the photocatalytic activity of materials.

Energy Metrics for State Government Buildings

Science.gov (United States)

Michael, Trevor

Measuring true progress towards energy conservation goals requires the accurate reporting and accounting of energy consumption. An accurate energy metrics framework is also a critical element for verifiable Greenhouse Gas Inventories. Energy conservation in government can reduce expenditures on energy costs leaving more funds available for public services. In addition to monetary savings, conserving energy can help to promote energy security, air quality, and a reduction of carbon footprint. With energy consumption/GHG inventories recently produced at the Federal level, state and local governments are beginning to also produce their own energy metrics systems. In recent years, many states have passed laws and executive orders which require their agencies to reduce energy consumption. In June 2008, SC state government established a law to achieve a 20% energy usage reduction in state buildings by 2020. This study examines case studies from other states who have established similar goals to uncover the methods used to establish an energy metrics system. Direct energy consumption in state government primarily comes from buildings and mobile sources. This study will focus exclusively on measuring energy consumption in state buildings. The case studies reveal that many states including SC are having issues gathering the data needed to accurately measure energy consumption across all state buildings. Common problems found include a lack of enforcement and incentives that encourage state agencies to participate in any reporting system. The case studies are aimed at finding the leverage used to gather the needed data. The various approaches at coercing participation will hopefully reveal methods that SC can use to establish the accurate metrics system needed to measure progress towards its 20% by 2020 energy reduction goal. Among the strongest incentives found in the case studies is the potential for monetary savings through energy efficiency. Framing energy conservation

Graphene oxide quantum dot-sensitized porous titanium dioxide microsphere: Visible-light-driven photocatalyst based on energy band engineering.

Science.gov (United States)

Zhang, Yu; Qi, Fuyuan; Li, Ying; Zhou, Xin; Sun, Hongfeng; Zhang, Wei; Liu, Daliang; Song, Xi-Ming

2017-07-15

We report a novel graphene oxide quantum dot (GOQD)-sensitized porous TiO 2 microsphere for efficient photoelectric conversion. Electro-chemical analysis along with the Mott-Schottky equation reveals conductivity type and energy band structure of the two semiconductors. Based on their energy band structures, visible light-induced electrons can transfer from the p-type GOQD to the n-type TiO 2 . Enhanced photocurrent and photocatalytic activity in visible light further confirm the enhanced separation of electrons and holes in the nanocomposite. Copyright © 2017 Elsevier Inc. All rights reserved.

Band formation in xenon-argon alloys studied by photoelectron spectroscopy

International Nuclear Information System (INIS)

Nuernberger, R.; Himpsel, F.J.; Schwentner, N.; Koch, E.E.

1977-01-01

Photoelectron energy distribution curves for Xenon-Argon alloys for concentrations ranging from 0-100% have been measured by excitation with synchrotron radiation at hupsilon = 13.8 eV, 16.5 eV and 18.0 eV. With increasing Xe concentration the gradual formation of Xe valence bands starting from the atomic Xe 5p 1 / 2 and Xe 5p 3 / 2 states is observed. Similarly with Ar the 3p states are broadened with increasing Ar concentration. Rather high concentrations of Xe or Ar are necessary in order to reach the fully developed Xe or Ar bands respectively. The results are discussed in terms of a concentration dependent tightbinding bandstructure. (orig.) [de

State-level benefits of energy efficiency

International Nuclear Information System (INIS)

Tonn, Bruce; Peretz, Jean H.

2007-01-01

This paper describes benefits attributable to state-level energy efficiency programs. Nationwide, state-level energy efficiency programs have targeted all sectors of the economy and have employed a wide range of methods to promote energy efficiency. Standard residential and industrial programs typically identify between 20% and 30% energy savings in homes and plants, respectively. Over a 20-year period of time, an average state that aggressively pursues even a limited array of energy efficiency programs can potentially reduce total state energy use by as much as 20%. Well-designed energy efficiency programs can be expected to help overcome numerous barriers to the market penetration of energy efficient technologies and accelerate the market penetration of the technologies. Energy efficiency programs are cost-effective; typical benefit-cost ratios exceed 3:1 and are much higher when non-energy and macroeconomic benefits are included. Indeed, energy efficiency and associated programs and investments can create significant numbers of new jobs and enhance state tax revenues. Several states have incorporated energy efficiency into their economic development programs. It should also be noted that increasing amounts of venture capital are being invested in the energy sector in general and in specific technologies like solar power in particular. (author)

State-Level Benefits of Energy Efficiency

Energy Technology Data Exchange (ETDEWEB)

Tonn, Bruce Edward [ORNL

2007-02-01

This report describes benefits attributable to state-level energy efficiency programs. Nationwide, state-level energy efficiency programs have targeted all sectors of the economy and have employed a wide range of methods to promote energy efficiency. Standard residential and industrial programs typically identify between 20 to 30% energy savings in homes and plants, respectively. Over a 20 year period of time, an average state that aggressively pursues even a limited array of energy efficiency programs can potentially reduce total state energy use by as much as 20%. Benefit-cost ratios of effective energy efficiency programs typically exceed 3 to 1 and are much higher when non-energy and macroeconomic benefits are included. Indeed, energy efficiency and associated programs and investments can create significant numbers of new jobs and enhance state tax revenues. Several states have incorporated energy efficiency into their economic development programs. It should also be noted that increasing amounts of venture capital are being invested in the energy sector in general and in specific technologies like solar power in particular. Well-designed energy efficiency programs can be expected to help overcome numerous barriers to the market penetration of energy efficient technologies and accelerate the market penetration of the technologies.

Recoil-distance lifetime measurements of the ground-state band in 164Dy, 170Er, and 174Yb

International Nuclear Information System (INIS)

Sie, S.H.; Gebbie, D.W.

1977-06-01

Mean-lives of the 4 + , 6 + and 8 + levels of the ground-state band in 164 Dy, 170 Er and 174 Yb have been measured by the recoil-distance technique following multiple Coulomb excitation with 32 S projectiles of energy 120-140 MeV. The gamma-rays were detected in coincidence with backscattered particles. The results are compared with theoretical predictions of the adiabatic rotor model. The 6 + and 8 + lifetimes in 164 Dy are found to correspond to a slight reduction in B(E2) values over the rotational model prediction, while for for the 4 + state a 12% reduction was observed. In 170 Er and 174 Yb the lifetimes are consistent with rotational model predictions with a slight enhancement of B(E2) values at higher spins. Comparison with other results from Doppler broadened lineshape analysis confirms the need to adjust the electronic stopping powers of Northcliffe and Schilling in the lineshape calculations. (Author)

Band structure engineering for ultracold quantum gases in optical lattices

International Nuclear Information System (INIS)

Weinberg, Malte

2014-01-01

The energy band structure fundamentally influences the physical properties of a periodic system. It may give rise to highly exotic phenomena in yet uncharted physical regimes. Ultracold quantum gases in optical lattices provide an ideal playground for the investigation of a large variety of such intriguing effects. Experiments presented here address several issues that require the systematic manipulation of energy band structures in optical lattices with diverse geometries. These artificial crystals of light, generated by interfering laser beams, allow for an unprecedented degree of control over a wide range of parameters. A major part of this thesis employs time-periodic driving to engineer tunneling matrix elements and, thus, the dispersion relation for bosonic quantum gases in optical lattices. Resonances emerging in the excitation spectrum due to the particularly strong forcing can be attributed to multi-photon transitions that are investigated systematically. By changing the sign of the tunneling, antiferromagnetic spin-spin interactions can be emulated. In a triangular lattice this leads to geometrical frustration with a doubly degenerate ground state as the simultaneous minimization of competing interactions is inhibited. Moreover, complex-valued tunneling matrix elements can be generated with a suitable breaking of time-reversal symmetry in the driving scheme. The associated Peierls phases mimic the presence of an electromagnetic vector gauge potential acting on charged particles. First proof-of-principle experiments reveal an excellent agreement with theoretical calculations. In the weakly interacting superfluid regime, these artificial gauge fields give rise to an Ising-XY model with tunable staggered magnetic fluxes and a complex interplay between discrete and continuous symmetries. A thermal phase transition from an ordered ferromagnetic- to an unordered paramagnetic state could be observed. In the opposite hard-core boson limit of strong interactions

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

International Nuclear Information System (INIS)

Peterman, D.J.

1980-01-01

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

"Assistance to States on Geothermal Energy"

Energy Technology Data Exchange (ETDEWEB)

Linda Sikkema; Jennifer DeCesaro

2006-07-10

This final report summarizes work carried out under agreement with the U.S. Department of Energy, related to geothermal energy policy issues. This project has involved a combination of outreach and publications on geothermal energy—Contract Number DE-FG03-01SF22367—with a specific focus on educating state-level policymakers. Education of state policymakers is vitally important because state policy (in the form of incentives or regulation) is a crucial part of the success of geothermal energy. State policymakers wield a significant influence over all of these policies. They are also in need of high quality, non-biased educational resources which this project provided. This project provided outreach to legislatures, in the form of responses to information requests on geothermal energy and publications. The publications addressed: geothermal leasing, geothermal policy, constitutional and statutory authority for the development of geothermal district energy systems, and state regulation of geothermal district energy systems. These publications were distributed to legislative energy committee members, and chairs, legislative staff, legislative libraries, and other related state officials. The effect of this effort has been to provide an extensive resource of information about geothermal energy for state policymakers in a form that is useful to them. This non-partisan information has been used as state policymakers attempt to develop their own policy proposals related to geothermal energy in the states. Coordination with the National Geothermal Collaborative: NCSL worked and coordinated with the National Geothermal Collaborative (NGC) to ensure that state legislatures were represented in all aspects of the NGC's efforts. NCSL participated in NGC steering committee conference calls, attended and participated in NGC business meetings and reviewed publications for the NGC. Additionally, NCSL and WSUEP staff drafted a series of eight issue briefs published by the

Structure of the semi-decoupled π 1/2[411] band in odd proton nucleus 169Ta

International Nuclear Information System (INIS)

Song Hai; Deng Fuguo; Shao Liqin; Zhou Hongyu; Sun Huibin; Lu Jingbin; Zhao Guangyi; Yin Lichang; Liu Yunzuo

2003-01-01

High spin states of the odd proton-nucleus 169 Ta have been populated in the reaction 155 Gd( 19 F, 5 n) with beam energies of 97 MeV. Rotational band based on d 3/2 proton 1/2[411] Nilsson state has been pushed up to 39/2 + in the α=1/2 decay sequence. Its signature partner, the α=-1/2 decay sequence with four link transitions has been established and 1/2[411] band in 169 Ta was reassigned to be a semi-decoupled band. The systematics of the signature splitting in the K=1/2 bands in the rear-earth region and the accidental degeneracy conclusion given by the angular projection shell model were discussed

Sustainable energy in Baltic States

International Nuclear Information System (INIS)

Klevas, Valentinas; Streimikiene, Dalia; Grikstaite, Ramute

2007-01-01

Integration of New Member States to the European Union has created a new situation in the frame of implementation of the Lisbon strategy and EU Sustainable Development. The closure of Ignalina NPP is the biggest challenge to the energy sector development of the Baltic States. The Baltic States have quite limited own energy resources and in the Accession agreement with the EU Lithuania, Latvia and Estonia have verified their targets to increase the share of electricity produced from renewable energy sources (RES-E) by the year 2010. A wider use of renewable energy and increase of energy efficiency can make a valuable contribution to meeting the targets of sustainable development. The article presents a detailed overview of the present policies and measures implemented in the Baltic States, aiming to support the use of RES and the increase of energy efficiency. The review of possibilities to use the EU Structural Funds (SF) for the implementation of sustainable energy projects in the Baltic States was performed.The use of regional social-economic-environmental indicators is the main key to integrate sustainable energy development at the program deployment level. The indicators to be used should describe the contribution of energy programs to the sustainable development, medium- and long-term trends and inter-relationship between them and the typical energy indicators (saved toe, improved energy efficiency, percentage of RES). Municipalities may play a considerable role by promoting sustainable energy since local authorities are fulfilling their functions in the energy sector via a number of roles. The Netherlands' example shows that municipalities may act as facilitators by implementing national environmental policy and increasing energy efficiency in an integral part of these activities. The guidelines for Lithuanian local sustainable energy development using the SF co-financing have been presented

Band Edge Dynamics and Multiexciton Generation in Narrow Band Gap HgTe Nanocrystals.

Science.gov (United States)

Livache, Clément; Goubet, Nicolas; Martinez, Bertille; Jagtap, Amardeep; Qu, Junling; Ithurria, Sandrine; Silly, Mathieu G; Dubertret, Benoit; Lhuillier, Emmanuel

2018-04-11

Mercury chalcogenide nanocrystals and especially HgTe appear as an interesting platform for the design of low cost mid-infrared (mid-IR) detectors. Nevertheless, their electronic structure and transport properties remain poorly understood, and some critical aspects such as the carrier relaxation dynamics at the band edge have been pushed under the rug. Some of the previous reports on dynamics are setup-limited, and all of them have been obtained using photon energy far above the band edge. These observations raise two main questions: (i) what are the carrier dynamics at the band edge and (ii) should we expect some additional effect (multiexciton generation (MEG)) as such narrow band gap materials are excited far above the band edge? To answer these questions, we developed a high-bandwidth setup that allows us to understand and compare the carrier dynamics resonantly pumped at the band edge in the mid-IR and far above the band edge. We demonstrate that fast (>50 MHz) photoresponse can be obtained even in the mid-IR and that MEG is occurring in HgTe nanocrystal arrays with a threshold around 3 times the band edge energy. Furthermore, the photoresponse can be effectively tuned in magnitude and sign using a phototransistor configuration.

Efficient in-band diode-pumped Q-switched solid state laser for methane detection, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — We propose to develop an efficient, tunable Q-switched SSL operating at a wavelength of 1651 nm with pulse energy >1 mJ at 2000 Hz repetition rate with in-band...

Study of intruder band in {sup 112}Sn

Energy Technology Data Exchange (ETDEWEB)

Ganguly, S. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Banerjee, P. [Saha Institute of Nuclear Physics, Kolkata 700064 (India)]. E-mail: polash.banerjee@saha.ac.in; Ray, I. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Kshetri, R. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Raut, R. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Bhattacharya, S. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Saha-Sarkar, M. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Goswami, A. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Mukhopadhyay, S. [UGC-DAE-CSR, Kolkata 700098 (India); Mukherjee, A. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Mukherjee, G. [Variable Energy Cyclotron Centre, Kolkata 700064 (India); Basu, S.K. [Variable Energy Cyclotron Centre, Kolkata 700064 (India)

2007-06-01

Excited states of the positive-parity intruder band in {sup 112}Sn, populated in the {sup 100}Mo({sup 20}Ne,{alpha}4n) reaction at a beam energy of 136 MeV, have been studied. The band has been observed up to 11570.0 keV with spin (24{sup +}). Mean lifetimes have been measured for six states up to the 22{sup +}, 10335.1 keV level and an upper limit of the lifetime has been estimated for the 11570.0 keV (24{sup +}) state. The B(E2) values, derived from the present lifetime results, correspond to a moderate quadrupole deformation of {beta}{sub 2}{approx}0.18 for states with spin J{sup {pi}}>=12{sup +}, and the decrease in B(E2) for the 14{sup +}->12{sup +} transition is consistent with a {nu}(h{sub 11/2}){sup 2} alignment at {omega}{approx}0.35 MeV, predicted by a cranked shell-model calculation. Total Routhian surface calculations predict a triaxial shape following the alignment.

A Unifying Perspective on Oxygen Vacancies in Wide Band Gap Oxides.

Science.gov (United States)

Linderälv, Christopher; Lindman, Anders; Erhart, Paul

2018-01-04

Wide band gap oxides are versatile materials with numerous applications in research and technology. Many properties of these materials are intimately related to defects, with the most important defect being the oxygen vacancy. Here, using electronic structure calculations, we show that the charge transition level (CTL) and eigenstates associated with oxygen vacancies, which to a large extent determine their electronic properties, are confined to a rather narrow energy range, even while band gap and the electronic structure of the conduction band vary substantially. Vacancies are classified according to their character (deep versus shallow), which shows that the alignment of electronic eigenenergies and CTL can be understood in terms of the transition between cavity-like localized levels in the large band gap limit and strong coupling between conduction band and vacancy states for small to medium band gaps. We consider both conventional and hybrid functionals and demonstrate that the former yields results in very good agreement with the latter provided that band edge alignment is taken into account.

Adsorbate-induced modification of electronic band structure of epitaxial Bi(111) films

Energy Technology Data Exchange (ETDEWEB)

Matetskiy, A.V., E-mail: mateckij@iacp.dvo.ru [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); Bondarenko, L.V.; Tupchaya, A.Y.; Gruznev, D.V. [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); Eremeev, S.V. [Institute of Strength Physics and Materials Science, 634021 Tomsk (Russian Federation); Tomsk State University, 634050 Tomsk (Russian Federation); Zotov, A.V. [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); School of Natural Sciences, Far Eastern Federal University, 690950 Vladivostok (Russian Federation); Department of Electronics, Vladivostok State University of Economics and Service, 690600 Vladivostok (Russian Federation); Saranin, A.A. [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); School of Natural Sciences, Far Eastern Federal University, 690950 Vladivostok (Russian Federation)

2017-06-01

Highlights: • Modification of electronic properties of ultrathin Bi films by adsorbates is demonstrated. • Due to electron doping from Cs adatoms, surface-state bands shift to higher binding energies. • As a result, only electron pockets are left in the Fermi map. • Tin acts as an acceptor dopant for Bi, shifting Fermi level upward. • As a result, only hole pockets are left in the Fermi map. - Abstract: Changes of the electronic band structure of Bi(111) films on Si(111) induced by Cs and Sn adsorption have been studied using angle-resolved photoemission spectroscopy and density functional theory calculations. It has been found that small amounts of Cs when it presents at the surface in a form of the adatom gas leads to shifting of the surface and quantum well states to the higher binding energies due to the electron donation from adsorbate to the Bi film. In contrast, adsorbed Sn dissolves into the Bi film bulk upon heating and acts as an acceptor dopant, that results in shifting of the surface and quantum well states upward to the lower binding energies. These results pave the way to manipulate with the Bi thin film electron band structure allowing to achieve a certain type of conductivity (electron or hole) with a single spin channel at the Fermi level making the adsorbate-modified Bi a reliable base for prospective spintronics applications.

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

Directory of Open Access Journals (Sweden)

Diana E. Proffit

2010-11-01

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

Intensity profiles of superdeformed bands in Pb isotopes in a two-level mixing model

International Nuclear Information System (INIS)

Wilson, A. N.; Szigeti, S. S.; Rogers, J. I.; Davidson, P. M.; Cardamone, D. M.

2009-01-01

A recently developed two-level mixing model of the decay out of superdeformed bands is applied to examine the loss of flux from the yrast superdeformed bands in 192 Pb, 194 Pb, and 196 Pb. Probability distributions for decay to states at normal deformations are calculated at each level. The sensitivity of the results to parameters describing the levels at normal deformation and their coupling to levels in the superdeformed well is explored. It is found that except for narrow ranges of the interaction strength coupling the states, the amount of intensity lost is primarily determined by the ratio of γ decay widths in the normal and superdeformed wells. It is also found that while the model can accommodate the observed fractional intensity loss profiles for decay from bands at relatively high excitation, it cannot accommodate the similarly abrupt decay from bands at lower energies if standard estimates of the properties of the states in the first minimum are employed

Valence band photoemission studies of clean metals

International Nuclear Information System (INIS)

Wehner, P.S.

1978-04-01

The application of Angle-Resolved Photoelectron Spectroscopy (ARPES) to crystalline solids and the utilization of such studies to illuminate several questions concerning the detailed electronic structure of such materials, are discussed. Specifically, by construction of a Direct Transition (DT) model and the utilization of energy-dependent angle-resolved normal photoemission in the photon energy range 32 eV < or = hν < or = 200 eV, the bulk band structure of copper is experimentally mapped out along three different directions in the Brillouin Zone; GAMMA to K, GAMMA to L, and GAMMA to X. In addition, various effects which influence the obtainable resolution in vector k-space, namely, thermal disorder, momentum broadening, and band mixing, are discussed and are shown to place severe limitations on the applicability of the DT model. Finally, a model for Angle-Resolved X-ray Photoelectron Spectroscopy (ARXPS) based on the symmetry of the initial-state wavefunctions is presented and compared to experimental results obtained from copper single crystals

Composite Piezoelectric Rubber Band for Energy Harvesting from Breathing and Limb Motion

International Nuclear Information System (INIS)

Wang, Jhih-Jhe; Su, Huan-Jan; Hsu, Chang-I; Su, Yu-Chuan

2014-01-01

We have successfully demonstrated the design and microfabrication of piezoelectric rubber bands and their application in energy harvesting from human motions. Composite polymeric and metallic microstructures with embedded bipolar charges are employed to realize the desired stretchability and electromechanical sensitivity. In the prototype demonstration, multilayer PDMS cellular structures coated with PTFE films and stretchable gold electrodes are fabricated and implanted with bipolar charges. The composite structures show elasticity of 300∼600 kPa and extreme piezoelectricity of d 33 >2000 pC/N and d 31 >200 pC/N. For a working volume of 2.5cm×2.5cm×0.3mm, 10% (or 2.5mm) stretch results in effective d 31 of >17000 pC/N. It is estimated that electric charge of >0.2 μC can be collected and stored per breath (or 2.5cm deformation). As such, the composite piezoelectric rubber bands (with spring constants of ∼200 N/m) can be mounted on elastic waistbands to harvest the circumferential stretch during breathing, or on pads around joints to harvest the elongation during limb motion. Furthermore, the wearable piezoelectric structures can be spread, stacked and connected to charge energy storages and power micro devices

Composite Piezoelectric Rubber Band for Energy Harvesting from Breathing and Limb Motion

Science.gov (United States)

Wang, Jhih-Jhe; Su, Huan-Jan; Hsu, Chang-I.; Su, Yu-Chuan

2014-11-01

We have successfully demonstrated the design and microfabrication of piezoelectric rubber bands and their application in energy harvesting from human motions. Composite polymeric and metallic microstructures with embedded bipolar charges are employed to realize the desired stretchability and electromechanical sensitivity. In the prototype demonstration, multilayer PDMS cellular structures coated with PTFE films and stretchable gold electrodes are fabricated and implanted with bipolar charges. The composite structures show elasticity of 300~600 kPa and extreme piezoelectricity of d33 >2000 pC/N and d31 >200 pC/N. For a working volume of 2.5cm×2.5cm×0.3mm, 10% (or 2.5mm) stretch results in effective d31 of >17000 pC/N. It is estimated that electric charge of >0.2 μC can be collected and stored per breath (or 2.5cm deformation). As such, the composite piezoelectric rubber bands (with spring constants of ~200 N/m) can be mounted on elastic waistbands to harvest the circumferential stretch during breathing, or on pads around joints to harvest the elongation during limb motion. Furthermore, the wearable piezoelectric structures can be spread, stacked and connected to charge energy storages and power micro devices.

Energy Band Gap Dependence of Valley Polarization of the Hexagonal Lattice

Science.gov (United States)

Ghalamkari, Kazu; Tatsumi, Yuki; Saito, Riichiro

2018-02-01

The origin of valley polarization of the hexagonal lattice is analytically discussed by tight binding method as a function of energy band gap. When the energy gap decreases to zero, the intensity of optical absorption becomes sharp as a function of k near the K (or K') point in the hexagonal Brillouin zone, while the peak intensity at the K (or K') point keeps constant with decreasing the energy gap. When the dipole vector as a function of k can have both real and imaginary parts that are perpendicular to each other in the k space, the valley polarization occurs. When the dipole vector has only real values by selecting a proper phase of wave functions, the valley polarization does not occur. The degree of the valley polarization may show a discrete change that can be relaxed to a continuous change of the degree of valley polarization when we consider the life time of photo-excited carrier.

Decay out of the superdeformed band in {sup 143}Eu

Energy Technology Data Exchange (ETDEWEB)

Atac, A; Piiparinen, M; Herskind, B [Copenhagen Univ. (Denmark); and others

1992-08-01

The connection between the super-deformed (SD) and normal-deformed (ND) states had not been observed, owing its difficulty to a statistical, highly fragmented decay path out of the SD bands. This left both the spin and the excitation energy of the SD bands undetermined. In this paper, the authors present results of a new experimental approach, where they take advantage of triple and higher-fold coincidences to study the decay-out of a SD band. They carried out an experiment at the Niels Bohr Institute Tandem Accelerator Laboratory, where they used the (160 MeV) {sup 37}Cl + {sup 110}Pd {yields} {sup 143}Eu + 4n reaction. 9 refs., 3 figs.

Non-Dirac Chern insulators with large band gaps and spin-polarized edge states.

Science.gov (United States)

Xue, Y; Zhang, J Y; Zhao, B; Wei, X Y; Yang, Z Q

2018-05-10

Based on first-principles calculations and k·p models, we demonstrate that PbC/MnSe heterostructures are a non-Dirac type of Chern insulator with very large band gaps (244 meV) and exotically half-metallic edge states, providing the possibilities of realizing very robust, completely spin polarized, and dissipationless spintronic devices from the heterostructures. The achieved extraordinarily large nontrivial band gap can be ascribed to the contribution of the non-Dirac type electrons (composed of px and py) and the very strong atomic spin-orbit coupling (SOC) interaction of the heavy Pb element in the system. Surprisingly, the band structures are found to be sensitive to the different exchange and correlation functionals adopted in the first-principles calculations. Chern insulators with various mechanisms are acquired from them. These discoveries show that the predicted nontrivial topology in PbC/MnSe heterostructures is robust and can be observed in experiments at high temperatures. The system has great potential to have attractive applications in future spintronics.

Atomic contributions to the valence band photoelectron spectra of metal-free, iron and manganese phthalocyanines

Energy Technology Data Exchange (ETDEWEB)

Bidermane, I., E-mail: ieva.bidermane@physics.uu.se [Department of Physics and Astronomy, Uppsala University, Box-516, 75120 Uppsala (Sweden); Institut des Nanosciences de Paris, UPMC Univ. Paris 06, CNRS UMR 7588, F-75005 Paris (France); Brumboiu, I.E. [Department of Physics and Astronomy, Uppsala University, Box-516, 75120 Uppsala (Sweden); Totani, R. [Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, Coppito, I-67010 L’Aquila (Italy); Grazioli, C. [CNR-IOM, Laboratorio TASC, ss. 14 km. 163.5, Basovizza, 34149 Trieste (Italy); Departement of Chemical and Pharmaceutical Sciences, University of Trieste (Italy); Shariati-Nilsson, M.N.; Herper, H.C.; Eriksson, O.; Sanyal, B. [Department of Physics and Astronomy, Uppsala University, Box-516, 75120 Uppsala (Sweden); Ressel, B. [University of Nova Gorica, Vipavska Cesta 11c, 5270 Ajdovščina (Slovenia); Simone, M. de [CNR-IOM, Laboratorio TASC, ss. 14 km. 163.5, Basovizza, 34149 Trieste (Italy); Lozzi, L. [Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, Coppito, I-67010 L’Aquila (Italy); Brena, B.; Puglia, C. [Department of Physics and Astronomy, Uppsala University, Box-516, 75120 Uppsala (Sweden)

2015-11-15

Highlights: • In detail comparison between the valence band structure of H{sub 2}Pc, FePc and MnPc. • Comparison between the gas phase samples and thin evaporated films on Au (1 1 1). • Detailed analysis of the atomic orbital contributions to the valence band features. • DFT/HSE06 study of the valence band electronic structure of H{sub 2}Pc, FePc and MnPc. - Abstract: The present work reports a photoelectron spectroscopy study of the low-energy region of the valence band of metal-free phthalocyanine (H{sub 2}Pc) compared with those of iron phthalocyanine (FePc) and manganese phthalocyanine (MnPc). We have analysed in detail the atomic orbital composition of the valence band both experimentally, by making use of the variation in photoionization cross-sections with photon energy, and theoretically, by means of density functional theory. The atomic character of the Highest Occupied Molecular Orbital (HOMO), reflected on the outermost valence band binding energy region, is different for MnPc as compared to the other two molecules. The peaks related to the C 2p contributions, result in the HOMO for H{sub 2}Pc and FePc and in the HOMO-1 for MnPc as described by the theoretical predictions, in very good agreement with the experimental results. The DFT simulations, discerning the atomic contribution to the density of states, indicate how the central metal atom interacts with the C and N atoms of the molecule, giving rise to different partial and total density of states for these three Pc molecules.

Handbook of the band structure of elemental solids from Z = 1 to Z = 112

CERN Document Server

Papaconstantopoulos, Dimitris A

2015-01-01

This handbook presents electronic structure data and tabulations of Slater-Koster parameters for the whole periodic table. This second edition presents data sets for all elements up to Z = 112, Copernicium, whereas the first edition contained only 53 elements. In this new edition, results are given for the equation of state of the elements together with the parameters of a Birch fit, so that the reader can regenerate the results and derive additional information, such as Pressure-Volume relations and variation of Bulk Modulus with Pressure. For each element, in addition to the equation of state, the energy bands, densities of states, and a set of tight-binding parameters is provided. For a majority of elements, the tight-binding parameters are presented for both a two- and three-center approximation. For the hcp structure, new three-center tight-binding results are given. Other new material in this edition include: energy bands and densities of states of all rare-earth metals, a discussion of the McMillan-Gas...

Single-step link of the superdeformed band in 143Eu

International Nuclear Information System (INIS)

Atac, A.; Bergstroem, M.H.; Nyberg, J.; Persson, J.; Herskind, B.; Joss, D.T.; Lipoglavsek, M.; Tucek, K.

1996-01-01

A discrete γ-ray ransition with an energy of 3360.6 keV deexciting the second lowest SD state in 143 Eu has been discovered. It carries 3.2 % of the full intensity of the band and feeds into a nearly spherical state which is above the I = 35/2 (+) , E x =4947 keV level. The exact placement of the single-step link is, however, not established due to the specially complicated level scheme in the region of interest. The energy of the single-step link agrees well with the previously determined two-step links. (orig.)

Effects of thermo-order-mechanical coupling on band structures in liquid crystal nematic elastomer porous phononic crystals.

Science.gov (United States)

Yang, Shuai; Liu, Ying

2018-08-01

Liquid crystal nematic elastomers are one kind of smart anisotropic and viscoelastic solids simultaneously combing the properties of rubber and liquid crystals, which is thermal sensitivity. In this paper, the wave dispersion in a liquid crystal nematic elastomer porous phononic crystal subjected to an external thermal stimulus is theoretically investigated. Firstly, an energy function is proposed to determine thermo-induced deformation in NE periodic structures. Based on this function, thermo-induced band variation in liquid crystal nematic elastomer porous phononic crystals is investigated in detail. The results show that when liquid crystal elastomer changes from nematic state to isotropic state due to the variation of the temperature, the absolute band gaps at different bands are opened or closed. There exists a threshold temperature above which the absolute band gaps are opened or closed. Larger porosity benefits the opening of the absolute band gaps. The deviation of director from the structural symmetry axis is advantageous for the absolute band gap opening in nematic state whist constrains the absolute band gap opening in isotropic state. The combination effect of temperature and director orientation provides an added degree of freedom in the intelligent tuning of the absolute band gaps in phononic crystals. Copyright © 2018 Elsevier B.V. All rights reserved.

Experimental study of the 2p-2h band in 111Sn

International Nuclear Information System (INIS)

Ganguly, S.; Banerjee, P.; Ray, I.; Kshetri, R.; Raut, R.; Bhattacharya, S.; Saha-Sarkar, M.; Goswami, A.; Basu, S. K.

2008-01-01

The ΔI=2 intruder band in 111 Sn, built upon the 4074.3 keV state, was studied. The states were populated in the 100 Mo( 20 Ne, α5n) reaction at a beam energy of 136 MeV. Mean lifetimes of five states up to 8737.2 keV (spin 43/2 - ) have been measured for the first time using the Doppler shift attenuation method. In addition, an upper limit of mean lifetime has been estimated for the 9860.0 keV (spin 47/2 - ) state. The B(E2) values, derived from the present lifetime results, indicate a quadrupole deformation of β 2 =0.28±0.02 for the 31/2 - state and decrease progressively with spin, suggesting a reduction in collectivity. The dynamic moment of inertia for the band also decreases continuously up to the highest observed frequencies. These results, along with the predictions of a total Routhian surface calculation, suggest that the ΔI=2 band in 111 Sn undergoes a change of shape from collective prolate to triaxial with increase in spin and possibly terminates in a noncollective oblate state at a high spin

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

Science.gov (United States)

Shih, Ko-Han; Chang, Yin-Jung

2018-01-01

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

Fullerene-Free Organic Solar Cells with an Efficiency of 10.2% and an Energy Loss of 0.59 eV Based on a Thieno[3,4-c]Pyrrole-4,6-dione-Containing Wide Band Gap Polymer Donor.

Science.gov (United States)

Hadmojo, Wisnu Tantyo; Wibowo, Febrian Tri Adhi; Ryu, Du Yeol; Jung, In Hwan; Jang, Sung-Yeon

2017-09-27

Although the combination of wide band gap polymer donors and narrow band gap small-molecule acceptors achieved state-of-the-art performance as bulk heterojunction (BHJ) active layers for organic solar cells, there have been only several of the wide band gap polymers that actually realized high-efficiency devices over >10%. Herein, we developed high-efficiency, low-energy-loss fullerene-free organic solar cells using a weakly crystalline wide band gap polymer donor, PBDTTPD-HT, and a nonfullerene small-molecule acceptor, ITIC. The excessive intermolecular stacking of ITIC is efficiently suppressed by the miscibility with PBDTTPD-HT, which led to a well-balanced nanomorphology in the PBDTTPD-HT/ITIC BHJ active films. The favorable optical, electronic, and energetic properties of PBDTTPD-HT with respect to ITIC achieved panchromatic photon-to-current conversion with a remarkably low energy loss (0.59 eV).

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

Science.gov (United States)

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

2014-12-15

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

State energy data report 1993: Consumption estimates

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-07-01

The State Energy Data Report (SEDR) provides annual time series estimates of State-level energy consumption by major economic sector. The estimates are developed in the State Energy Data System (SEDS), which is maintained and operated by the Energy Information Administration (EIA). The goal in maintaining SEDS is to create historical time series of energy consumption by State that are defined as consistently as possible over time and across sectors. SEDS exists for two principal reasons: (1) to provide State energy consumption estimates to Members of Congress, Federal and State agencies, and the general public; and (2) to provide the historical series necessary for EIA`s energy models.

Modeling and analysis of renewable energy obligations and technology bandings in the UK electricity market

NARCIS (Netherlands)

Gurkan, G.; Langestraat, R.

In the UK electricity market, generators are obliged to produce part of their electricity with renewable energy resources in accordance with the Renewable Obligation Order. Since 2009 technology banding has been added, meaning that different technologies are rewarded with a different number of

Application of back-propagation artificial neural network (ANN) to predict crystallite size and band gap energy of ZnO quantum dots

Science.gov (United States)

Pelicano, Christian Mark; Rapadas, Nick; Cagatan, Gerard; Magdaluyo, Eduardo

2017-12-01

Herein, the crystallite size and band gap energy of zinc oxide (ZnO) quantum dots were predicted using artificial neural network (ANN). Three input factors including reagent ratio, growth time, and growth temperature were examined with respect to crystallite size and band gap energy as response factors. The generated results from neural network model were then compared with the experimental results. Experimental crystallite size and band gap energy of ZnO quantum dots were measured from TEM images and absorbance spectra, respectively. The Levenberg-Marquardt (LM) algorithm was used as the learning algorithm for the ANN model. The performance of the ANN model was then assessed through mean square error (MSE) and regression values. Based on the results, the ANN modelling results are in good agreement with the experimental data.

Hetero-gate-dielectric double gate junctionless transistor (HGJLT) with reduced band-to-band tunnelling effects in subthreshold regime

International Nuclear Information System (INIS)

Ghosh, Bahniman; Mondal, Partha; Akram, M. W.; Bal, Punyasloka; Salimath, Akshay Kumar

2014-01-01

We propose a hetero-gate-dielectric double gate junctionless transistor (HGJLT), taking high-k gate insulator at source side and low-k gate insulator at drain side, which reduces the effects of band-to-band tunnelling (BTBT) in the sub-threshold region. A junctionless transistor (JLT) is turned off by the depletion of carriers in the highly doped thin channel (device layer) which results in a significant band overlap between the valence band of the channel region and the conduction band of the drain region, due to off-state drain bias, that triggers electrons to tunnel from the valence band of the channel region to the conduction band of the drain region leaving behind holes in the channel. These effects of band-to-band tunnelling increase the sub-threshold leakage current, and the accumulation of holes in the channel forms a parasitic bipolar junction transistor (n–p–n BJT for channel JLT) in the lateral direction by the source (emitter), channel (base) and drain (collector) regions in JLT structure in off-state. The proposed HGJLT reduces the subthreshold leakage current and suppresses the parasitic BJT action in off-state by reducing the band-to-band tunnelling probability. (semiconductor devices)

State energy data report 1995 - consumption estimates

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-12-01

The State Energy Data Report (SEDR) provides annual time series estimates of State-level energy consumption by major economic sectors. The estimates are developed in the State Energy Data System (SEDS), which is maintained and operated by the Energy Information Administration (EIA). The goal in maintaining SEDS exists for two principal reasons: (1) to provide State energy consumption estimates to Members of Congress, Federal and State agencies, and the general public, and (2) to provide the historical series necessary for EIA`s energy models.

A Method against Interrupted-Sampling Repeater Jamming Based on Energy Function Detection and Band-Pass Filtering

Directory of Open Access Journals (Sweden)

Hui Yuan

2017-01-01

Full Text Available Interrupted-sampling repeater jamming (ISRJ is a new kind of coherent jamming to the large time-bandwidth linear frequency modulation (LFM signal. Many jamming modes, such as lifelike multiple false targets and dense false targets, can be made through setting up different parameters. According to the “storage-repeater-storage-repeater” characteristics of the ISRJ and the differences in the time-frequency-energy domain between the ISRJ signal and the target echo signal, one new method based on the energy function detection and band-pass filtering is proposed to suppress the ISRJ. The methods mainly consist of two parts: extracting the signal segments without ISRJ and constructing band-pass filtering function with low sidelobe. The simulation results show that the method is effective in the ISRJ with different parameters.

A Comparison of the Valence Band Structure of Bulk and Epitaxial GeTe-based Diluted Magnetic Semiconductors

International Nuclear Information System (INIS)

Pietrzyk, M.A.; Kowalski, B.J.; Orlowski, B.A.; Knoff, W.; Story, T.; Dobrowolski, W.; Slynko, V.E.; Slynko, E.I.; Johnson, R.L.

2010-01-01

In this work we present a comparison of the experimental results, which have been obtained by the resonant photoelectron spectroscopy for a set of selected diluted magnetic semiconductors based on GeTe, doped with manganese. The photoemission spectra are acquired for the photon energy range of 40-60 eV, corresponding to the Mn 3p → 3d resonances. The spectral features related to Mn 3d states are revealed in the emission from the valence band. The Mn 3d states contribution manifests itself in the whole valence band with a maximum at the binding energy of 3.8 eV. (authors)

State Energy Data Report, 1991: Consumption estimates

International Nuclear Information System (INIS)

1993-05-01

The State Energy Data Report (SEDR) provides annual time series estimates of State-level energy consumption by major economic sector. The estimates are developed in the State Energy Data System (SEDS), which is maintained and operated by the Energy Information Administration (EIA). The goal in maintaining SEDS is to create historical time series of energy consumption by State that are defined as consistently as possible over time and across sectors. SEDS exists for two principal reasons: (1) to provide State energy consumption estimates to the Government, policy makers, and the public; and (2) to provide the historical series necessary for EIA's energy models

Description of highly perturbed bands in rare earth nuclei

International Nuclear Information System (INIS)

Joshi, P.C.; Sood, P.C.

1976-01-01

Recently some highly perturbed positive parity bands have been populated in odd-mass rare earth nuclei. The energy spacings and sometimes even the spin sequences are drastically different from the usual strong coupling rotational model picture. The levels belonging to 'odd and even' I+1/2 are found to make separate groupings. The levels belonging to odd values of I+1/2 are seen to be very much favoured in comparison to the levels for which I+1/2 is even. In some cases only the favoured levels have been identified. These bands have been studied in the frame-work of rotation aligned coupling scheme in which the odd neutron in the unique parity orbital (in this case the isub(13/2) orbital) is strongly decoupled from the body fixed symmetry axis by the Coriolis force so as to make the projection of its angular momentum α on the rotation axis approximately a good quantum number. A description of the energy levels is suggested by assigning the quantum number α-j to the favoured levels and α-j-1 to the unfavoured levels. The intraband transitions of the favoured and unfavoured bands are examined in comparison with those in the adjacent ground state bands in even-even nuclei. (author)

Band gap calculations of the semiconductor BNxP1−x using modified Becke–Johnson approximation

International Nuclear Information System (INIS)

Benkraouda, M.; Amrane, N.

2013-01-01

Highlights: ► The Modified Becke–Johnson scheme gives a very accurate band gap. ► We have shown the invalidity of Vegard’s linear rule for BN x P 1−x . ► The band gap changes with alloy concentration are important in band gap engineering. - Abstract: In this work, the electronic properties of BN, BP and BN x P 1−x compounds have been investigated by means of first-principles density-functional total-energy calculation using the all-electron full potential linear augmented plane-wave method (FP-LAPW). The (FP-LAPW) method was used within the density functional theory (DFT) along with the Engel–Vosko and Becke–Johnson exchange correlation potential. The energy bands along high symmetry directions, the density of states and bowing distributions are calculated. The results have been discussed in terms of previously existing experimental and theoretical data, and comparisons with similar compounds have been made. Analysis of band structure suggests direct and pseudo-direct band gaps for both compounds.

Band gap tuning of amorphous Al oxides by Zr alloying

DEFF Research Database (Denmark)

Canulescu, Stela; Jones, N. C.; Borca, C. N.

2016-01-01

minimum changes non-linearly as well.Fitting of the energy band gap values resulted in a bowing parameter of 2 eV. The band gap bowing of themixed oxides is assigned to the presence of the Zr d-electron states localized below the conduction bandminimum of anodized Al2O3.......The optical band gap and electronic structure of amorphous Al-Zr mixed oxides, with Zr content ranging from4.8 to 21.9% were determined using vacuum ultraviolet (VUV) and X-ray absorption spectroscopy (XAS). Thelight scattering by the nano-porous structure of alumina at low wavelengths...... was estimated based on the Miescattering theory. The dependence of the optical band gap of the Al-Zr mixed oxides on Zr content deviatesfrom linearity and decreases from 7.3 eV for pure anodized Al2O3 to 6.45 eV for Al-Zr mixed oxide with Zrcontent of 21.9%. With increasing Zr content, the conduction band...

Band-to-band and inner shell excitation VIS-UV photoluminescence of quaternary InAlGaN alloys

International Nuclear Information System (INIS)

Fukui, K.; Naoe, S.; Okada, K.; Hamada, S.; Hirayama, H.

2006-01-01

Visible and ultraviolet photoluminescence and photoluminescence excitation spectra of quaternary InAlGaN alloys were measured. The excitation photon energy covers from band edge to 180 eV, near both nitrogen K (∝400 eV) and aluminium K (∝1.5 keV) inner shell energy region. From photoluminescence excitation spectra photoluminescence intensity per incident photon number varies in proportion to incident photon energy. This result implies that many conduction band electron - valence band hole pairs which are responsible for photoluminescence are produced by high energy excitation. Time resolved decay curves were also measured in the same energy region. No effect of high energy excitation on time resolved decay measurements suggests a role of indium on the photoluminescence mechanism in InAlGaN system. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

10. State energy balance - 1978-1991

International Nuclear Information System (INIS)

1993-12-01

The energetic matrix of Minas Gerais State (Brazil) for the year 1991 and historic review of 1978 to 1990 are shown in this 10. State Energy Balance. The global balance and the state structure of energy demand, by energy source and socio-economic sector are presented, and the relations between energy system and the Minas Gerais economic performance are analysed. The consumption evolution by sector is also cited. (C.G.C.)

Observation of states beyond band termination in 156,157,158Er and strongly deformed structures in 173,174,175Hf

International Nuclear Information System (INIS)

Riley, M A; Djongolov, M K; Evans, A O

2006-01-01

High-spin terminating bands in heavy nuclei were first identified in nuclei around 158 Er 90 . While examples of terminating states have been identified in a number of erbium isotopes, almost nothing is known about the states lying beyond band termination. In the present work, the high-spin structure of 156,157,158 Er has been studied using the Gammasphere spectrometer. The subject of triaxial superdeformation and 'wobbling' modes in Lu nuclei has rightly attracted a great deal of attention. Very recently four strongly or superdeformed (SD) sequences have been observed in 174 Hf, and cranking calculations using the Ultimate Cranker code predict that such structures may have significant triaxial deformation. We have performed two experiments in an attempt to verify the possible triaxial nature of these bands. A lifetime measurement was performed to confirm the large (and similar) deformation of the bands. In addition, a high-statistics, thin-target experiment took place to search for linking transitions between the SD bands, possible wobbling modes, and new SD band structures

Highly-distorted and doubly-decoupled rotational bands in odd-odd nuclei

International Nuclear Information System (INIS)

McHarris, W.C.; Olivier, W.A.; Rios, A.; Hampton, C.; Chou, Wentsae; Aryaeinejad, R.

1991-01-01

Heavy-ion reactions induce large amounts of angular momentum; hence, they selectively populate rotationally-aligned particle states in compound nuclei. Such states tend to deexcite through similar states connected by large coriolis matrix elements, resulting in relatively few - but highly distorted - bands in the lower-energy portions of odd-odd spectra. The extreme cases of this are doubly-decoupled, K ∼ 1 (π 1/2 x ν 1/2) bands, whose γ transitions are the most intense in spectra from many light Re and Ir nuclei. The authors made a two-pronged assault on such bands, studying them via different HI reactions at different laboratories and using interacting-boson (IBFFA) calculations to aid in sorting them out. The authors are beginning to understand the types of (primarily coriolis) distortions involved and hope to grasp a handle on aspects of the p-n residual interaction, although the coriolis distortions are large enough to mask much of the latter. They also discuss similar but complementary effects in the light Pr region

Modeling and analysis of renewable energy obligations and technology bandings in the UK electricity market

International Nuclear Information System (INIS)

Gürkan, Gül; Langestraat, Romeo

2014-01-01

In the UK electricity market, generators are obliged to produce part of their electricity with renewable energy resources in accordance with the Renewable Obligation Order. Since 2009 technology banding has been added, meaning that different technologies are rewarded with a different number of certificates. We analyze these two different renewable obligation policies in a mathematical representation of an electricity market with random availabilities of renewable generation outputs and random electricity demand. We also present another, alternative, banding policy. We provide revenue adequate pricing schemes for the three obligation policies. We carry out a simulation study via sampling. A key finding is that the UK banding policy cannot guarantee that the original obligation target is met, hence potentially resulting in more pollution. Our alternative provides a way to make sure that the target is met while supporting less established technologies, but it comes with a significantly higher consumer price. Furthermore, as an undesirable side effect, we observe that a cost reduction in a technology with a high banding (namely offshore wind) leads to more CO 2 emissions under the UK banding policy and to higher consumer prices under the alternative banding policy. - Highlights: • We model and analyze three renewable obligation policies in a mathematical framework. • We provide revenue adequate pricing schemes for the three policies. • We carry out a simulation study via sampling. • The UK policy cannot guarantee that the original obligation target is met. • Cost reductions can lead to more pollution or higher prices under banding policies

Balanced homodyne detection of optical quantum states at audio-band frequencies and below

International Nuclear Information System (INIS)

Stefszky, M S; Mow-Lowry, C M; Chua, S S Y; Shaddock, D A; Buchler, B C; Lam, P K; McClelland, D E; Vahlbruch, H; Khalaidovski, A; Schnabel, R

2012-01-01

The advent of stable, highly squeezed states of light has generated great interest in the gravitational wave community as a means for improving the quantum-noise-limited performance of advanced interferometric detectors. To confidently measure these squeezed states, it is first necessary to measure the shot-noise across the frequency band of interest. Technical noise, such as non-stationary events, beam pointing, and parasitic interference, can corrupt shot-noise measurements at low Fourier frequencies, below tens of kilo-hertz. In this paper we present a qualitative investigation into all of the relevant noise sources and the methods by which they can be identified and mitigated in order to achieve quantum noise limited balanced homodyne detection. Using these techniques, flat shot-noise down to Fourier frequencies below 0.5 Hz is produced. This enables the direct observation of large magnitudes of squeezing across the entire audio-band, of particular interest for ground-based interferometric gravitational wave detectors. 11.6 dB of shot-noise suppression is directly observed, with more than 10 dB down to 10 Hz. (paper)

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

Science.gov (United States)

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

2016-01-01

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

Mars Global Surveyor Ka-Band Frequency Data Analysis

Science.gov (United States)

Morabito, D.; Butman, S.; Shambayati, S.

2000-01-01

The Mars Global Surveyor (MGS) spacecraft, launched on November 7, 1996, carries an experimental space-to-ground telecommunications link at Ka-band (32 GHz) along with the primary X-band (8.4 GHz) downlink. The signals are simultaneously transmitted from a 1.5-in diameter parabolic high gain antenna (HGA) on MGS and received by a beam-waveguide (BWG) R&D 34-meter antenna located in NASA's Goldstone Deep Space Network (DSN) complex near Barstow, California. The projected 5-dB link advantage of Ka-band relative to X-band was confirmed in previous reports using measurements of MGS signal strength data acquired during the first two years of the link experiment from December 1996 to December 1998. Analysis of X-band and Ka-band frequency data and difference frequency (fx-fka)/3.8 data will be presented here. On board the spacecraft, a low-power sample of the X-band downlink from the transponder is upconverted to 32 GHz, the Ka-band frequency, amplified to I-W using a Solid State Power Amplifier, and radiated from the dual X/Ka HGA. The X-band signal is amplified by one of two 25 W TWTAs. An upconverter first downconverts the 8.42 GHz X-band signal to 8 GHz and then multiplies using a X4 multiplier producing the 32 GHz Ka-band frequency. The frequency source selection is performed by an RF switch which can be commanded to select a VCO (Voltage Controlled Oscillator) or USO (Ultra-Stable Oscillator) reference. The Ka-band frequency can be either coherent with the X-band downlink reference or a hybrid combination of the USO and VCO derived frequencies. The data in this study were chosen such that the Ka-band signal is purely coherent with the X-band signal, that is the downconverter is driven by the same frequency source as the X-band downlink). The ground station used to acquire the data is DSS-13, a 34-meter BWG antenna which incorporates a series of mirrors inside beam waveguide tubes which guide the energy to a subterranean pedestal room, providing a stable environment

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

Energy Technology Data Exchange (ETDEWEB)

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

1997-04-01

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

Band gap tuning of amorphous Al oxides by Zr alloying

Energy Technology Data Exchange (ETDEWEB)

Canulescu, S., E-mail: stec@fotonik.dtu.dk; Schou, J. [Department of Photonics Engineering, Technical University of Denmark, 4000 Roskilde (Denmark); Jones, N. C.; Hoffmann, S. V. [ISA, Department of Physics and Astronomy, Aarhus University, 8000 Aarhus (Denmark); Borca, C. N.; Piamonteze, C. [Swiss Light Source, Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Rechendorff, K.; Nielsen, L. P.; Almtoft, K. P. [Danish Technological Institute, Kongsvang Alle 29, 8000 Aarhus (Denmark); Gudla, V. C.; Bordo, K.; Ambat, R. [Department of Mechanical Engineering, Technical University of Denmark, 2800 Kgs-Lyngby (Denmark)

2016-08-29

The optical band gap and electronic structure of amorphous Al-Zr mixed oxides with Zr content ranging from 4.8 to 21.9% were determined using vacuum ultraviolet and X-ray absorption spectroscopy. The light scattering by the nano-porous structure of alumina at low wavelengths was estimated based on the Mie scattering theory. The dependence of the optical band gap of the Al-Zr mixed oxides on the Zr content deviates from linearity and decreases from 7.3 eV for pure anodized Al{sub 2}O{sub 3} to 6.45 eV for Al-Zr mixed oxides with a Zr content of 21.9%. With increasing Zr content, the conduction band minimum changes non-linearly as well. Fitting of the energy band gap values resulted in a bowing parameter of ∼2 eV. The band gap bowing of the mixed oxides is assigned to the presence of the Zr d-electron states localized below the conduction band minimum of anodized Al{sub 2}O{sub 3}.

193Hg collective oblate band with Ex>5.7 MeV

International Nuclear Information System (INIS)

Roy, N.; Henry, E.A.; Becker, J.A.

1993-01-01

Rotational bands in the neutron-deficient Pb nuclei 192,194,196-201 Pb have been reported recently. Band members are connected by L = 1 transitions, with crossover L = 2 transitions observed at the higher γ-ray energies. Regular and irregular patterns of γ-ray energies are observed. Conversion coefficients determined from intensity balance suggest the L = 1 transitions are M1. The bands have generally been interpreted as collective oblate, involving deformation aligned high-j proton configurations such as π(s 1/2 -2 h 9/2 i 13/2 ), and rotation aligned i 13/2 -n neutrons. Evidence for a similar band in 193 Hg has been obtained. 193 Hg was populated in the reaction 176 Yb( 22 Ne,5n) at E i ( 22 Ne) = 110 MeV. Reaction γ rays were detected with the Ge detector array HERA. A new 'collective' structure was observed with E x >5.7 MeV. States of the structure extend from I≥47/2 to I +10, and they decay with competing dipole and quadrupole transitions. The ratio B(M1)/B(E2), ∼ 2μ 2 /(e b) 2 , is approximately 10x lower in 193 Hg than in the Pb bands. The lowest member is produced with ∼20% of the 193 Hg cross section. Evidence for a similar band in 196 Hg will be presented at this meeting

In-beam γ-spectroscopic study of rotational bands in 103Rh

International Nuclear Information System (INIS)

Kuti, I.; Timar, J.; Sohler, D.; Koike, T.; Lee, I.Y.; Machiavelli, A.O.

2012-01-01

Complete text of publication follows. Earlier studies revealed the existence of chiral partner candidate bands in 103 Rh. In order to construct a more complex level scheme, and to collect more information on the band structure, we studied the experimental properties of the rotational bands of this nucleus. For this analysis, excited states of 103 Rh were populated through the 96 Zr( 11 B,4n) reaction at a beam energy of 40 MeV. The beam, provided by the 88-in. cyclotron of the Lawrence Berkeley National Laboratory (LBNL), impinged on a 500 μg/cm 2 self-supporting target foil. For detection of the emitted γ-rays, the GAMMASPHERE spectrometer was used. Out of a sum of 9x10 9 events, about the 65% could be assigned to 103 Rh. In the present phase of the study, the level scheme was constructed based on γγγ-coincidence relationships, as well as energy and intensity balances of the observed γ-rays. The analysis included the evaluation of 2- and 3-dimensional histograms, using the RADWARE software package. Three typical γγγ-coincidence spectra are shown in Figure 1. We doubled the number of transitions assigned to 103 Rh and we established five new bands to the formerly known six ones. In order to assign firm spin-parities to the states, we plan to make an angular correlation (DCO) analysis for the observed transitions.

State energy data report 1996: Consumption estimates

Energy Technology Data Exchange (ETDEWEB)

NONE

1999-02-01

The State Energy Data Report (SEDR) provides annual time series estimates of State-level energy consumption by major economic sectors. The estimates are developed in the Combined State Energy Data System (CSEDS), which is maintained and operated by the Energy Information Administration (EIA). The goal in maintaining CSEDS is to create historical time series of energy consumption by State that are defined as consistently as possible over time and across sectors. CSEDS exists for two principal reasons: (1) to provide State energy consumption estimates to Members of Congress, Federal and State agencies, and the general public and (2) to provide the historical series necessary for EIA`s energy models. To the degree possible, energy consumption has been assigned to five sectors: residential, commercial, industrial, transportation, and electric utility sectors. Fuels covered are coal, natural gas, petroleum, nuclear electric power, hydroelectric power, biomass, and other, defined as electric power generated from geothermal, wind, photovoltaic, and solar thermal energy. 322 tabs.

State energy data report 1996: Consumption estimates

International Nuclear Information System (INIS)

1999-02-01

The State Energy Data Report (SEDR) provides annual time series estimates of State-level energy consumption by major economic sectors. The estimates are developed in the Combined State Energy Data System (CSEDS), which is maintained and operated by the Energy Information Administration (EIA). The goal in maintaining CSEDS is to create historical time series of energy consumption by State that are defined as consistently as possible over time and across sectors. CSEDS exists for two principal reasons: (1) to provide State energy consumption estimates to Members of Congress, Federal and State agencies, and the general public and (2) to provide the historical series necessary for EIA's energy models. To the degree possible, energy consumption has been assigned to five sectors: residential, commercial, industrial, transportation, and electric utility sectors. Fuels covered are coal, natural gas, petroleum, nuclear electric power, hydroelectric power, biomass, and other, defined as electric power generated from geothermal, wind, photovoltaic, and solar thermal energy. 322 tabs

First excited states in doubly-odd 110Sb: Smooth band termination in the A ∼ 110 region

International Nuclear Information System (INIS)

Lane, G.J.; Fossan, D.B.; Thorslund, I.

1996-01-01

Excited states have been identified for the first time in 110 Sb in a comprehensive series of γ-spectroscopy experiments, including recoil-mass and neutron-field measurements. Three high-spin decoupled bands with configurations based on 2p-2h excitations across the Z = 50 shell gap, are observed to show the features of smooth band termination, the first such observation in an odd-odd nucleus. The yrast intruder band has been connected to the low spin levels and is tentatively identified up to its predicred termination at I π = (45 + ). Detailed configuration assignments are made through comparison with configuration-dependent cranked Nilsson-Strutinsky calculations; excellent agreement with experiment is obtained. The systematic occurrence of smoothly terminating bands in the neighboring isotopes is discussed

Direct optical band gap measurement in polycrystalline semiconductors: A critical look at the Tauc method

International Nuclear Information System (INIS)

Dolgonos, Alex; Mason, Thomas O.; Poeppelmeier, Kenneth R.

2016-01-01

The direct optical band gap of semiconductors is traditionally measured by extrapolating the linear region of the square of the absorption curve to the x-axis, and a variation of this method, developed by Tauc, has also been widely used. The application of the Tauc method to crystalline materials is rooted in misconception–and traditional linear extrapolation methods are inappropriate for use on degenerate semiconductors, where the occupation of conduction band energy states cannot be ignored. A new method is proposed for extracting a direct optical band gap from absorption spectra of degenerately-doped bulk semiconductors. This method was applied to pseudo-absorption spectra of Sn-doped In 2 O 3 (ITO)—converted from diffuse-reflectance measurements on bulk specimens. The results of this analysis were corroborated by room-temperature photoluminescence excitation measurements, which yielded values of optical band gap and Burstein–Moss shift that are consistent with previous studies on In 2 O 3 single crystals and thin films. - Highlights: • The Tauc method of band gap measurement is re-evaluated for crystalline materials. • Graphical method proposed for extracting optical band gaps from absorption spectra. • The proposed method incorporates an energy broadening term for energy transitions. • Values for ITO were self-consistent between two different measurement methods.

State energy data report 1994: Consumption estimates

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-10-01

This document provides annual time series estimates of State-level energy consumption by major economic sector. The estimates are developed in the State Energy Data System (SEDS), operated by EIA. SEDS provides State energy consumption estimates to members of Congress, Federal and State agencies, and the general public, and provides the historical series needed for EIA`s energy models. Division is made for each energy type and end use sector. Nuclear electric power is included.

State energy data report 1994: Consumption estimates

International Nuclear Information System (INIS)

1996-10-01

This document provides annual time series estimates of State-level energy consumption by major economic sector. The estimates are developed in the State Energy Data System (SEDS), operated by EIA. SEDS provides State energy consumption estimates to members of Congress, Federal and State agencies, and the general public, and provides the historical series needed for EIA's energy models. Division is made for each energy type and end use sector. Nuclear electric power is included

Density functional theory calculations for the band gap and formation energy of Pr4-xCaxSi12O3+xN18-x; a highly disordered compound with low symmetry and a large cell size.

Science.gov (United States)

Hong, Sung Un; Singh, Satendra Pal; Pyo, Myoungho; Park, Woon Bae; Sohn, Kee-Sun

2017-06-28

A novel oxynitride compound, Pr 4-x Ca x Si 12 O 3+x N 18-x , synthesized using a solid-state route has been characterized as a monoclinic structure in the C2 space group using Rietveld refinement on synchrotron powder X-ray diffraction data. The crystal structure of this compound was disordered due to the random distribution of Ca/Pr and N/O ions at various Wyckoff sites. A pragmatic approach for an ab initio calculation based on density function theory (DFT) for this disordered compound has been implemented to calculate an acceptable value of the band gap and formation energy. In general, for the DFT calculation of a disordered compound, a sufficiently large super cell and infinite variety of ensemble configurations is adopted to simulate the random distribution of ions; however, such an approach is time consuming and cost ineffective. Even a single unit cell model gave rise to 43 008 independent configurations as an input model for the DFT calculations. Since it was nearly impossible to calculate the formation energy and the band gap energy for all 43 008 configurations, an elitist non-dominated sorting genetic algorithm (NSGA-II) was employed to find the plausible configurations. In the NSGA-II, all 43 008 configurations were mathematically treated as genomes and the calculated band gap and the formation energy as the objective (fitness) function. Generalized gradient approximation (GGA) was first employed in the preliminary screening using NSGA-II, and thereafter a hybrid functional calculation (HSE06) was executed only for the most plausible GGA-relaxed configurations with lower formation and higher band gap energies. The final band gap energy (3.62 eV) obtained after averaging over the selected configurations, resembles closely the experimental band gap value (4.11 eV).

State-to-State Mode Specificity: Energy Sequestration and Flow Gated by Transition State.

Science.gov (United States)

Zhao, Bin; Sun, Zhigang; Guo, Hua

2015-12-23

Energy flow and sequestration at the state-to-state level are investigated for a prototypical four-atom reaction, H2 + OH → H + H2O, using a transition-state wave packet (TSWP) method. The product state distribution is found to depend strongly on the reactant vibrational excitation, indicating mode specificity at the state-to-state level. From a local-mode perspective, it is shown that the vibrational excitation of the H2O product derives from two different sources, one attributable to the energy flow along the reaction coordinate into the newly formed OH bond and the other due to the sequestration of the vibrational energy in the OH spectator moiety during the reaction. The analysis provided a unified interpretation of some seemingly contradicting experimental observations. It is further shown that the transfer of vibrational energy from the OH reactant to H2O product is gated by the transition state, accomplished coherently by multiple TSWPs with the corresponding OH vibrational excitation.

A comment on "Ab initio study: the potential energy curves and ro-vibrational spectrum of low-lying excited states of HCl+ cation"

Science.gov (United States)

Liu, Ya-Jun; Cheng, Xin-Lu; Chen, Hua-Jun; Cheng, Jun-Xia; Song, Xiao-Shu

2018-02-01

Since the 2Π state in HCl+ is an inverted doublet, the energy of the 2Π1/2 state is higher than the 2Π3/2. Therefore, the larger value of intensity correspond to the transition of 2Π3/2. We calculated the Einstein A coefficients and radiation lifetimes for the A2Σ+-X2Π transition. Our results are in good agreement with the experimental data and theoretical values. Then the ro-vibrational line intensities of the 1-0 band were calculated for the 2Π3/2 and 2Π1/2 states of HCl+. Employing the RKR potential, the predicted band origins for Δν=1-0 are 2569.3 and 2568.55 cm-1 for 2Π3/2 and 2Π1/2, respectively.

Spectra of γ rays feeding superdeformed bands

International Nuclear Information System (INIS)

Lauritsen, T.; Khoo, T.L.; Henry, R.G.

1995-01-01

The spectrum of γrays coincident with SD transitions contains the transitions which populate the SD band. This spectrum can provide information on the feeding mechanism and on the properties (moment of inertia, collectivity) of excited SD states. We used a model we developed to explain the feeding of SD bands, to calculate the spectrum of feeding γrays. The Monte Carlo simulations take into account the trigger conditions present in our Eurogam experiment. Both experimental and theoretical spectra contain a statistical component and a broad E2 peak (from transitions occurring between excited states in the SD well). There is good resemblance between the measured and calculated spectra although the calculated multiplicity of an E2 bump is low by ∼30%. Work is continuing to improve the quality of the fits, which will result in a better understanding of excited SD states. In addition, a model for the last steps, which cool the γ cascade into the SD yrast line, needs to be developed. A strong M1/E2 low-energy component, which we believe is responsible for this cooling, was observed

Spectra of {gamma} rays feeding superdeformed bands

Energy Technology Data Exchange (ETDEWEB)

Lauritsen, T.; Khoo, T.L.; Henry, R.G. [and others

1995-08-01

The spectrum of {gamma}rays coincident with SD transitions contains the transitions which populate the SD band. This spectrum can provide information on the feeding mechanism and on the properties (moment of inertia, collectivity) of excited SD states. We used a model we developed to explain the feeding of SD bands, to calculate the spectrum of feeding {gamma}rays. The Monte Carlo simulations take into account the trigger conditions present in our Eurogam experiment. Both experimental and theoretical spectra contain a statistical component and a broad E2 peak (from transitions occurring between excited states in the SD well). There is good resemblance between the measured and calculated spectra although the calculated multiplicity of an E2 bump is low by {approximately}30%. Work is continuing to improve the quality of the fits, which will result in a better understanding of excited SD states. In addition, a model for the last steps, which cool the {gamma} cascade into the SD yrast line, needs to be developed. A strong M1/E2 low-energy component, which we believe is responsible for this cooling, was observed.

Band anticrossing effects in highly mismatched semiconductor alloys

Energy Technology Data Exchange (ETDEWEB)

Wu, Junqiao [Univ. of California, Berkeley, CA (United States)

2002-01-01

The first five chapters of this thesis focus on studies of band anticrossing (BAC) effects in highly electronegativity- mismatched semiconductor alloys. The concept of bandgap bowing has been used to describe the deviation of the alloy bandgap from a linear interpolation. Bowing parameters as large as 2.5 eV (for ZnSTe) and close to zero (for AlGaAs and ZnSSe) have been observed experimentally. Recent advances in thin film deposition techniques have allowed the growth of semiconductor alloys composed of significantly different constituents with ever- improving crystalline quality (e.g., GaAs_1-xN_x and GaP_1-xN_x with x ~< 0.05). These alloys exhibit many novel and interesting properties including, in particular, a giant bandgap bowing (bowing parameters > 14 eV). A band anticrossing model has been developed to explain these properties. The model shows that the predominant bowing mechanism in these systems is driven by the anticrossing interaction between the localized level associated with the minority component and the band states of the host. In this thesis I discuss my studies of the BAC effects in these highly mismatched semiconductors. It will be shown that the results of the physically intuitive BAC model can be derived from the Hamiltonian of the many-impurity Anderson model. The band restructuring caused by the BAC interaction is responsible for a series of experimental observations such as a large bandgap reduction, an enhancement of the electron effective mass, and a decrease in the pressure coefficient of the fundamental gap energy. Results of further experimental investigations of the optical properties of quantum wells based on these materials will be also presented. It will be shown that the BAC interaction occurs not only between localized states and conduction band states at the Brillouin zone center, but also exists over all of k-space. Finally, taking ZnSTe and ZnSeTe as examples, I show that BAC also

Pair correlation of super-deformed rotation band

International Nuclear Information System (INIS)

Shimizu, Yoshio

1989-01-01

The effect of pair correlation, one of the most important residual interactions associated with the super-deformed rotation band, is discussed in terms of the characteristics of the rotation band (its effect on the moment of inertia in particular), and the tunneling into an normal deformed state in relation to its effect on the angular momentum dependence of the potential energy plane as a function of the deformation. The characteristics of the rotation band is discussed in terms of the kinematic and dynamic momenta of inertia. It is shown that the pair correlation in a super-deformed rotation band acts to decrease the former and increase the latter momentum mainly due to dynamic pair correlation. A theoretical approach that takes this effect into account can provide results that are consistent with measured momenta, although large differences can occur in some cases. Major conflicts include a large measured kinetic momentum of inertia compared to the theoretical value, and the absence of the abnormality (shape increase) generally seen in low-spin experiments. The former seems likely to be associated with the method of measuring the angular momentum. (N.K.)

Current state of X-band accelerating structure high gradient test. Be held at high energy accelerator organization on April 15, 2005

International Nuclear Information System (INIS)

Watanabe, Ken; Higo, Toshiyasu

2005-01-01

XTF (X-band Test Facility, Old name is GLCTA) is the high gradient test facility for X-band acceleration. We have installed an X-band 60cm structure (KX01) in the April 2004 and have been processing it for more than 10 months. Now it is under test on long-term operation. We report here the high gradient test result to date. (author)

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

International Nuclear Information System (INIS)

Yamane, Hiroyuki; Kosugi, Nobuhiro

2015-01-01

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

Defect states in microcrystalline silicon probed by photoluminescence spectroscopy

International Nuclear Information System (INIS)

Merdzhanova, T.; Carius, R.; Klein, S.; Finger, F.; Dimova-Malinovska, D.

2006-01-01

Photoluminescence (PL) spectroscopy is used to investigate defects and localized band tail states within the band gap of hydrogenated microcrystalline silicon (μc-Si:H) prepared by plasma enhanced chemical vapor deposition (PECVD) and hot wire chemical vapor deposition (HWCVD). The effect of the substrate temperature (T S ), which influences mainly the defect density, and silane concentration (SC), as Key parameter to control the microstructure of the material were varied. In high quality μc-Si:H films (T S = 185-200 deg. C) a PL band ('μc'-Si-band) is observed at ∼ 0.9-1.05 eV which is attributed to radiative recombination via localized band tail states in the microcrystalline phase. In μc-Si:H films prepared at higher T S (> 300 deg. C), an additional PL band at ∼ 0.7 eV with a width of ∼ 0.17 eV is found for both PECVD and HWCVD material. This band maintains its position at ∼ 0.7 eV with increasing SC in contrast to the observed shift of the 'μc'-Si-band to higher energies. Studies of the temperature dependences of the PL peak energy and intensity for the two bands show: (i) the PL band at 0.7 eV remains unaffected upon increasing temperature, while the 'μc'-Si-band shifts to lower energies (ii) a much weaker quenching for the 0.7 eV band compared to the 'μc'-Si-band. It was also found that the PL band at 0.7 eV exhibits a slightly stronger temperature dependence of the PL intensity compared to 'defect' band at 0.9 eV in a-Si:H suggesting similar recombination transition via deeper trap states. Due to a similar PL properties of the emission band previously observed in Czochralski-grown silicon (Cz-Si), the 0.7 eV band in μc-Si:H is assigned tentatively to defect-related transitions in the crystalline phase

Anti-correlated Soft Lags in the Intermediate State of Black Hole Source GX 339-4

OpenAIRE

Sriram, K.; Rao, A. R.; Choi, C. S.

2010-01-01

We report the few hundred second anti-correlated soft lags between soft and hard energy bands in the source GX 339-4 using RXTE observations. In one observation, anti-correlated soft lags were observed using the ISGRI/INTEGRAL hard energy band and the PCA/RXTE soft energy band light curves. The lags were observed when the source was in hard and soft intermediate states, i.e., in a steep power-law state.We found that the temporal and spectral properties were changed during the lag timescale. T...

Relation between plasmons and the valence-band density-of-states in polymethylmethacrylate - influence of ion irradiation on damage selectivity

International Nuclear Information System (INIS)

Moliton, J.P.; Jussiaux, C.; Trigaud, T.; Lazzaroni, R.; Lhost, O.; Bredas, J.L.; Kihn, Y.; Sevely, J.

1996-01-01

A physical model is presented that aims at rationalizing the selectivity of bond breakage observed when polymethylmethacrylate is irradiated by ions in the 10-500 keV energy range. This model, previously proposed by Brandt and Ritchie, is based on electronic collective effects. The coupling between the pure plasma oscillation at omega(p) and the oscillation of free electrons at [omega(k0)(2)](1/2) makes the whole electronic population resonant at the frequency omega(rp) = (omega(p)(2) + [omega(k0)(2)])(1/2). By computing the valence-band density of states, we calculate [omega(k0)(2)] and then deduce the theoretical value of omega(rp). On the other hand, we provide an experimental measurement of omega(rp) and study its dependence on ion fluence by electron-energy-loss spectroscopy. The validity of the model of Brandt and Ritchie is then discussed in the light of both theoretical and experimental data. (author)

Direct band gap measurement of Cu(In,Ga)(Se,S)2 thin films using high-resolution reflection electron energy loss spectroscopy

International Nuclear Information System (INIS)

Heo, Sung; Lee, Hyung-Ik; Park, Jong-Bong; Ko, Dong-Su; Chung, JaeGwan; Kim, KiHong; Kim, Seong Heon; Yun, Dong-Jin; Ham, YongNam; Park, Gyeong Su; Song, Taewon; Lee, Dongho; Nam, Junggyu; Kang, Hee Jae; Choi, Pyung-Ho; Choi, Byoung-Deog

2015-01-01

To investigate the band gap profile of Cu(In 1−x ,Ga x )(Se 1−y S y ) 2 of various compositions, we measured the band gap profile directly as a function of in-depth using high-resolution reflection energy loss spectroscopy (HR-REELS), which was compared with the band gap profile calculated based on the auger depth profile. The band gap profile is a double-graded band gap as a function of in-depth. The calculated band gap obtained from the auger depth profile seems to be larger than that by HR-REELS. Calculated band gaps are to measure the average band gap of the spatially different varying compositions with respect to considering its void fraction. But, the results obtained using HR-REELS are to be affected by the low band gap (i.e., out of void) rather than large one (i.e., near void). Our findings suggest an analytical method to directly determine the band gap profile as function of in-depth

An improved model of radiative transfer for the NLTE problem in the NIR bands of CO2 and CO molecules in the daytime atmosphere of Mars. 2. Population of vibrational states

Science.gov (United States)

Ogibalov, V. P.; Shved, G. M.

2017-09-01

The near-infrared (NIR) emission of the Martian atmosphere in the CO2 bands at 4.3, 2.7, 2.0, 1.6, 1.4, 1.3, 1.2, and 1.05 µm and in the CO bands at 4.7, 2.3, 1.6, and 1.2 µm is mainly generated under nonlocal thermodynamic equilibrium (NLTE) conditions for vibrational states, the transitions from which form the specified bands. The paper presents the results of simulations of the population of these states under NLTE for daytime conditions. In the cold high-latitude troposphere, the NLTE takes place much lower than in the troposphere under typical temperature conditions. If the NIR-radiation reflection from the surface is ignored, the population of high vibrational states substantially decreases, at least, in some layer of the lower atmosphere. However, inelastic collisions of CO2 and CO molecules with O atoms produce no considerable influence on the values of populations. The population of vibrational states, the transitions from which form NIR bands, is also almost insensitive to possible large values of the quenching-in-collision rate constants of vibrational states higher than CO2(0001). However, very large errors in the estimates of the population of vibrational states of the CO2 molecule (rather than the CO molecule!) can be caused by the uncertainty in the values of the rate constant of exchange between CO2 molecules by the energy quantum of the asymmetric stretching vibrational mode. For this intermolecular exchange, we recommend a possible way to restrict the vibrational excitation degree of the molecule that is a collision partner and to maintain simultaneously a sufficiently high accuracy in the population estimate.

A Passive Microwave L-Band Boreal Forest Freeze/Thaw and Vegetation Phenology Study

Science.gov (United States)

Roy, A.; Sonnentag, O.; Pappas, C.; Mavrovic, A.; Royer, A.; Berg, A. A.; Rowlandson, T. L.; Lemay, J.; Helgason, W.; Barr, A.; Black, T. A.; Derksen, C.; Toose, P.

2016-12-01

The boreal forest is the second largest land biome in the world and thus plays a major role in the global and regional climate systems. The extent, timing and duration of seasonal freeze/thaw (F/T) state influences vegetation developmental stages (phenology) and, consequently, constitute an important control on how boreal forest ecosystems exchange carbon, water and energy with the atmosphere. The effective retrieval of seasonal F/T state from L-Band radiometry was demonstrated using satellite mission. However, disentangling the seasonally differing contributions from forest overstory and understory vegetation, and the soil surface to the satellite signal remains challenging. Here we present initial results from a radiometer field campaign to improve our understanding of the L-Band derived boreal forest F/T signal and vegetation phenology. Two L-Band surface-based radiometers (SBR) are installed on a micrometeorological tower at the Southern Old Black Spruce site in central Saskatchewan over the 2016-2017 F/T season. One radiometer unit is installed on the flux tower so it views forest including all overstory and understory vegetation and the moss-covered ground surface. A second radiometer unit is installed within the boreal forest overstory, viewing the understory and the ground surface. The objectives of our study are (i) to disentangle the L-Band F/T signal contribution of boreal forest overstory from the understory and ground surface, (ii) to link the L-Band F/T signal to related boreal forest structural and functional characteristics, and (iii) to investigate the use of the L-Band signal to characterize boreal forest carbon, water and energy fluxes. The SBR observations above and within the forest canopy are used to retrieve the transmissivity (γ) and the scattering albedo (ω), two parameters that describe the emission of the forest canopy though the F/T season. These two forest parameters are compared with boreal forest structural and functional

Ocean dynamic noise energy flux directivity in the 400 Hz to 700 Hz frequency band

Institute of Scientific and Technical Information of China (English)

Vladimir A. Shchurov; Galina F. Ivanova; Marianna V. Kuyanova; Helen S. Tkachenko

2007-01-01

Results of field studies of underwater dynamic noise energy flux directivity at two wind speeds, 6 m/s and 12 m/s, in the 400 Hz to 700 Hz frequency band in the deep open ocean are presented. The measurements were made by a freely drifting telemetric combined system at 500 m depth. Statistical characteristics of the horizontal and vertical dynamic noise energy flux directivity are considered as functions of wind speed and direction. Correlation between the horizontal dynamic noise energy flux direction and that of the wind was determined; a mechanism of the horizontal dynamic noise energy flux generation is related to the initial noise field scattering on ocean surface waves.

Solid-state pulse modulator for a 1.7-MW X-band magnetron

International Nuclear Information System (INIS)

Choi, Jaegu; Shin, Yongmoon; Choi, Youngwook; Kim, Kwanho

2014-01-01

Medical linear accelerators (LINAC) for cancer treatment require pulse modulators to generate high-power pulses with a fast rise time, flat top and short duration to drive high-power magnetrons. Solid-state pulse modulators (SSPM) for medical LINACs that use high power semiconductor switches with high repetition rates, high stability and long lifetimes have been introduced to replace conventional linear-type pulse generators that use gaseous discharge switches. In this paper, the performance of a developed SSPM, which mainly consists of a capacitor charger, an insulated-gate bipolar transistor (IGBT) - capacitor stack and a pulse transformer, is evaluated with a dummy load and an X-band magnetron load. A theoretical analysis of the pulse transformer, which is a critical element of the SSPM, is carried out. The output pulse has a fast rise time and low droop, such that the modulator can drive the X-band magnetron.

Multi-band description of the specific heat and thermodynamic critical field in MgB2 superconductor

Science.gov (United States)

Szcześniak, R.; Jarosik, M. W.; Tarasewicz, P.; Durajski, A. P.

2018-05-01

The thermodynamic properties of MgB2 superconductor can be explained using the multi-band models. In the present paper we have examined the experimental data available in literature and we have found out that it is possible to reproduce the measured values of the superconducting energy gaps, the thermodynamic critical magnetic field and specific heat jump within the framework of two-band Eliashberg formalism and appropriate defined free energy difference between superconducting and normal state. Moreover, we found that the obtained results differ significantly from the predictions of the conventional Bardeen-Cooper-Schrieffer theory.

CdS{sub x}Te{sub 1-x} ternary semiconductors band gaps calculation using ground state and GW approximations

Energy Technology Data Exchange (ETDEWEB)

Kheloufi, Nawal; Bouzid, Abderrazak, E-mail: a_bouzid34@hotmail.com

2016-06-25

We present band gap calculations of zinc-blende ternary CdS{sub x}Te{sub 1-x} semiconductors within the standard DFT and quasiparticle calculations employing pseudopotential method. The DFT, the local density approximation (LDA) and the Generalized Gradient Approximation (GGA) based calculations have given very poor results compared to experimental data. The quasiparticle calculations have been investigated via the one-shot GW approximation. The present paper discuses and confirms the effect of inclusion of the semicore states in the cadmium (Cd) pseudopotential. The obtained GW quasiparticle band gap using Cd{sup +20} pseudopotential has been improved compared to the obtained results from the available pseudopotential without the treatment of semicore states. Our DFT and quasiparticle band gap results are discussed and compared to the available theoretical calculations and experimental data. - Graphical abstract: Band gaps improvement concerning the binary and ternary alloys using the GW approximation and Cd{sup 20+} pseudopotential with others levels of approximations (the LDA and GGA approximation employing the Cd{sup 12+} and the LDA within Cd{sup 20+} pseudopotential). - Highlights: • The direct Γ- Γ and indirect Γ- X and Γ- L bands gaps show a nonlinear behavior when S content is enhanced. • The quasiparticle band gap result for the investigated semiconductors is improved using the GW approximation. • All CdS{sub x}Te{sub 1-x} compounds in all compositions range from 0 to 1 are direct band gap semiconductors.

Thermal evolution of the band edges of 6H-SiC: X-ray methods compared to the optical band gap

International Nuclear Information System (INIS)

Miedema, P.S.; Beye, M.; Könnecke, R.; Schiwietz, G.; Föhlisch, A.

2014-01-01

Highlights: • Conduction band minima (CBM) of 6H-SiC are estimated with Si 2p XAS. • Valence band maxima (VBM) of 6H-SiC are estimated with non-resonant Si 2p XES. • Temperature-dependent VBM and CBM of 6H-SiC show asymmetric band gap closing. • XAS, XES and RIXS band gap estimates are compared with the optical band gap. • XAS + XES versus optical band gap provides core-excitonic screening energies. - Abstract: The band gap of semiconductors like silicon and silicon carbide (SiC) is the key for their device properties. In this research, the band gap of 6H-SiC and its temperature dependence were analyzed with silicon 2p X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy (XES) and resonant inelastic X-ray scattering (RIXS) allowing for a separate analysis of the conduction-band minimum (CBM) and valence-band maximum (VBM) components of the band gap. The temperature-dependent asymmetric band gap shrinking of 6H-SiC was determined with a valence-band slope of +2.45 × 10 −4 eV/K and a conduction-band slope of −1.334 × 10 −4 eV/K. The apparent asymmetry, e.g., that two thirds of the band-gap shrinking with increasing temperature is due to the VBM evolution in 6H-SiC, is similar to the asymmetry obtained for pure silicon before. The overall band gap temperature-dependence determined with XAS and non-resonant XES is compared to temperature-dependent optical studies. The core-excitonic binding energy appearing in the Si 2p XAS is extracted as the main difference. In addition, the energy loss of the onset of the first band in RIXS yields to values similar to the optical band gap over the tested temperature range

gamma-induced modification on optical band gap of CR-39 SSNTD

International Nuclear Information System (INIS)

Zaki, M.F.

2010-01-01

effect of gamma irradiation on optical absorption of nuclear track detectors like CR-39 was studied at different absorbed doses using ultraviolet-visible (UV-VIS)spectroscopy. the existence of the peaks, their shifting and broadening as a result of gamma irradiation has been discussed. the width of the tail of localized states in the band gap (E u )was evaluated using the Urbach edge method. finally the indirect and direct band gap in pristine and gamma irradiated CR-39 have been determined. the values of indirect band gap have been found to be lower than the corresponding values of direct band gap. a decrease in the optical energy gap with increasing the gamma absorbed dose can be discussed on the basis of gamma-irradiation-induced defects in the CR-39. the correlation between optical band gap and the number of carbon atoms in a cluster with modified Tauc's equation has been discussed in case of CR-39.

Electron densities and chemical bonding in TiC, TiN and TiO derived from energy band calculations

International Nuclear Information System (INIS)

Blaha, P.

1983-10-01

It was the aim of this paper to describe the chemical bonding of TiC, TiN and TiO by means of energy bands and electron densities. Using the respective potentials we have calculated the bandstructure of a finer k-grid with the linearized APW method to obtain accurate densities of states (DOS). These DOS wer partitioned into local partial contributions and the metal d DOS were further decomposed into tsub(2g) and esub(g) symmetry components in order to additionally characterize bonding. The electron densities corresponding to the occupied valence states are obtained from the LAPW calculations. They provide further insight into characteristic trends in the series from TiC to TiO: around the nonmetal site the density shows increasing localisation; around the metal site the deviation from spherical symmetry changes from esub(g) to tsub(2g). Electron density plots of characteristic band states allow to describe different types of bonding occurring in these systems. For TiC and TiN recent measurements of the electron densities exist for samples of TiCsub(0.94) and TiNsub(0.99), where defects cause static displacements of the Ti atoms. If this effect can be compensated by an atomic model one hopefully can extrapolate to stoichiometric composition. This procedure allows a comparison with structure factors derived from theoretical electron densities. The agreement for TiN is very good. For TiC the extrapolated data agree in terms of the deviations from spherical symmetry near the Ti site with the LAPW data, but the densities around both atoms are more localized than in theory. An explanation could be: a) the defects affect the electronic structure in TiCsub(0.94) with respect to TiCsub(1.0): b) the applied atomic model does not properly extrapolate to stoichiometry, because parameters of this model correlate or become unphysical. (Author)

Design of medium band gap Ag-Bi-Nb-O and Ag-Bi-Ta-O semiconductors for driving direct water splitting with visible light.

Science.gov (United States)

Wang, Limin; Cao, Bingfei; Kang, Wei; Hybertsen, Mark; Maeda, Kazuhiko; Domen, Kazunari; Khalifah, Peter G

2013-08-19

Two new metal oxide semiconductors belonging to the Ag-Bi-M-O (M = Nb, Ta) chemical systems have been synthesized as candidate compounds for driving overall water splitting with visible light on the basis of cosubstitution of Ag and Bi on the A-site position of known Ca2M2O7 pyrochlores. The low-valence band edge energies of typical oxide semiconductors prevents direct water splitting in compounds with band gaps below 3.0 eV, a limitation which these compounds are designed to overcome through the incorporation of low-lying Ag 4d(10) and Bi 6s(2) states into compounds of nominal composition "AgBiM2O7". It was found that the "AgBiTa2O7" pyrochlores are in fact a solid solution with an approximate range of Ag(x)Bi(5/6)Ta2O(6.25+x/2) with 0.5 semiconductors with the onset of strong direct absorption at 2.72 and 2.96 eV, respectively. Electronic structure calculations for an ordered AgBiNb2O7 structure show that the band gap reduction and the elevation of the valence band primarily result from hybridized Ag d(10)-O 2p orbitals that lie at higher energy than the normal O 2p states in typical pyrochlore oxides. While the minimum energy gap is direct in the band structure, the lowest energy dipole allowed optical transitions start about 0.2 eV higher in energy than the minimum energy transition and involve different bands. This suggests that the minimum electronic band gap in these materials is slightly smaller than the onset energy for strong absorption in the optical measurements. The elevated valence band energies of the niobate and tantalate compounds are experimentally confirmed by the ability of these compounds to reduce 2 H(+) to H2 gas when illuminated after functionalization with a Pt cocatalyst.

State Energy Resilience Framework

Energy Technology Data Exchange (ETDEWEB)

Phillips, J. [Argonne National Lab. (ANL), Argonne, IL (United States); Finster, M. [Argonne National Lab. (ANL), Argonne, IL (United States); Pillon, J. [Argonne National Lab. (ANL), Argonne, IL (United States); Petit, F. [Argonne National Lab. (ANL), Argonne, IL (United States); Trail, J. [Argonne National Lab. (ANL), Argonne, IL (United States)

2016-12-01

The energy sector infrastructure’s high degree of interconnectedness with other critical infrastructure systems can lead to cascading and escalating failures that can strongly affect both economic and social activities.The operational goal is to maintain energy availability for customers and consumers. For this body of work, a State Energy Resilience Framework in five steps is proposed.

Loss energy states of nonstationary quantum systems

International Nuclear Information System (INIS)

Dodonov, V.V.; Man'ko, V.I.

1978-01-01

The concept of loss energy states is introduced. The loss energy states of the quantum harmonic damping oscillator are considered in detail. The method of constructing the loss energy states for general multidimensional quadratic nonstationary quantum systems is briefly discussed

Transition state region in the A-Band photodissociation of allyl iodide—A femtosecond extreme ultraviolet transient absorption study

Energy Technology Data Exchange (ETDEWEB)

Bhattacherjee, Aditi, E-mail: abhattacherjee@berkeley.edu, E-mail: andrewattar@berkeley.edu; Attar, Andrew R., E-mail: abhattacherjee@berkeley.edu, E-mail: andrewattar@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Leone, Stephen R., E-mail: srl@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States)

2016-03-28

Femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy based on a high-harmonic generation source is used to study the 266 nm induced A-band photodissociation dynamics of allyl iodide (CH{sub 2} =CHCH{sub 2}I). The photolysis of the C—I bond at this wavelength produces iodine atoms both in the ground ({sup 2}P{sub 3/2}, I) and spin-orbit excited ({sup 2}P{sub 1/2}, I*) states, with the latter as the predominant channel. Using XUV absorption at the iodine N{sub 4/5} edge (45–60 eV), the experiments constitute a direct probe of not only the long-lived atomic iodine reaction products but also the fleeting transition state region of the repulsive n{sub I}σ{sup ∗}{sub C—I} excited states. Specifically, three distinct features are identified in the XUV transient absorption spectrum at 45.3 eV, 47.4 eV, and 48.4 eV (denoted transients A, B, and C, respectively), which arise from the repulsive valence-excited nσ{sup ∗} states and project onto the high-lying core-excited states of the dissociating molecule via excitation of 4d(I) core electrons. Transients A and B originate from 4d(I) → n(I) core-to-valence transitions, whereas transient C is best assigned to a 4d(I) →σ{sup ∗}(C—I) transition. The measured differential absorbance of these new features along with the I/I* branching ratios known from the literature is used to suggest a more definitive assignment, albeit provisional, of the transients to specific dissociative states within the A-band manifold. The transients are found to peak around 55 fs–65 fs and decay completely by 145 fs–185 fs, demonstrating the ability of XUV spectroscopy to map the evolution of reactants into products in real time. The similarity in the energies of transients A and B with analogous features observed in methyl iodide [Attar et al. J. Phys. Chem. Lett. 6, 5072, (2015)] together with the new observation of transient C in the present work provides a more complete picture of the valence electronic

Theoretical study on rotational bands and shape coexistence of 183,185,187Tl in the particle-triaxial-rotor model

International Nuclear Information System (INIS)

Chen Guojie; Cao Hui; Liu Yuxin; Song Huichao

2006-01-01

By taking the particle-triaxial-rotor model with variable moment of inertia, we systematically investigate the energy spectra, deformations, and single-particle configurations of the nuclei 183,185,187 Tl. The calculated energy spectra agree quite well with experimental data. The obtained results indicate that the rotation-aligned bands observed in 183,185,187 Tl originate from one of the [530](1/2) - ,[532](3/2) - ,[660](1/2) + proton configurations coupled to a prolate deformed core. Furthermore, the negative parity bands built upon the (9/2) - isomeric states in 183,185,187 Tl are formed by a proton with the [505](9/2) - configuration coupled to a core with triaxial oblate deformation, and the positive parity band on the (13/2) + isomeric state in 187 Tl is generated by a proton with configuration [606](13/2) + coupled to a triaxial oblate core

Anisotropic energy-gaps of iron-based superconductivity from intra-band quasiparticle interference in LiFeAs

Energy Technology Data Exchange (ETDEWEB)

Rost, A.W. [LASSP, Department of Physics, Cornell, Ithaca, NY 14853 (United States); SUPA, School of Physics and Astronomy, Univ. of St Andrews, St Andrews, Fife KY16 9SS (United Kingdom); Allan, M.P. [LASSP, Department of Physics, Cornell, Ithaca, NY 14853 (United States); SUPA, School of Physics and Astronomy, Univ. of St Andrews, St Andrews, Fife KY16 9SS (United Kingdom); CMPMS Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Mackenzie, A.P. [SUPA, School of Physics and Astronomy, Univ. of St Andrews, St Andrews, Fife KY16 9SS (United Kingdom); Xie, Y. [CMPMS Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Davis, J.C. [LASSP, Department of Physics, Cornell, Ithaca, NY 14853 (United States); SUPA, School of Physics and Astronomy, Univ. of St Andrews, St Andrews, Fife KY16 9SS (United Kingdom); CMPMS Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Kavli Institute at Cornell for Nanoscale Science, Cornell, Ithaca, NY 14853 (United States); Kihou, K.; Lee, C.H.; Iyo, A.; Eisaki, H. [AIST, Tsukuba, Ibaraki 305-8568 (Japan); Chuang, T.M. [LASSP, Department of Physics, Cornell, Ithaca, NY 14853 (United States); CMPMS Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Inst. of Physics, Academica Sinica, Nankang, Taipei 11529, Taiwan (China)

2012-07-01

Cooper pairing in the Fe-based superconductors is thought to occur due to the projection of the antiferromagnetic interactions between iron atoms onto the complex momentum-space electronic structure. A key consequence is that distinct anisotropic energy gaps {Delta}{sub i}(k) with specific relative orientations should occur on the different electronic bands i. To determine this previously unresolved gap structure high-precision spectroscopy is required. Here we introduce the STM technique of intra-band Bogolyubov quasiparticle scattering interference (QPI) to iron-based superconductor studies, focusing on LiFeAs. We identify the QPI signatures of three hole-like dispersions and, by introducing a new QPI technique, determine the magnitude and relative orientations of corresponding anisotropic {Delta}{sub i}(k). Intra-band Bogolyubov QPI therefore yields the spectroscopic information required to identify the mechanism of superconductivity in Fe-based superconductors.

Anomalies in the 1D Anderson model: Beyond the band-centre and band-edge cases

Science.gov (United States)

Tessieri, L.; Izrailev, F. M.

2018-03-01

We consider the one-dimensional Anderson model with weak disorder. Using the Hamiltonian map approach, we analyse the validity of the random-phase approximation for resonant values of the energy, E = 2 cos(πr) , with r a rational number. We expand the invariant measure of the phase variable in powers of the disorder strength and we show that, contrary to what happens at the centre and at the edges of the band, for all other resonant energies the leading term of the invariant measure is uniform. When higher-order terms are taken into account, a modulation of the invariant measure appears for all resonant values of the energy. This implies that, when the localisation length is computed within the second-order approximation in the disorder strength, the Thouless formula is valid everywhere except at the band centre and at the band edges.

New high spin states and band termination in {sup 83}Y and {sup 84}Zr

Energy Technology Data Exchange (ETDEWEB)

Johnson, T.D.; Aprahamian, A. [University of Notre Dame, Notre Dame, Indiana 46556 (United States); Lister, C.J.; Blumenthal, D.J.; Crowell, B. [Argonne National Laboratory, Argonne, Illinois 60439 (United States); Chowdhury, P. [University of Massachusetts, Lowell, Massachusetts 01854 (United States); Fallon, P.; Machiavelli, A.O. [Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

1997-03-01

The gamma decay of high spin yrast states in {sup 83}Y up to I{sup {pi}}=59/2{sup +} and 53/2{sup {minus}} have been observed using the reaction {sup 58}Ni({sup 29}Si,3p) at 110 MeV and the Gammasphere Early Implementation Array. The level scheme has been substantially extended due to the observations of several new transitions in all of the bands. A sequence of transitions feeding into the positive parity yrast band above I{sup {pi}}=47/2{sup +} seems to be consistent with a noncollective oblate structure expected at these high spins. A similar cascade is found in the data for {sup 84}Zr. A new forking of the favored negative parity band is found which may be due to neutron alignment polarizing the core to a different shape. This suggests that the {open_quotes}isomeric{close_quote}{close_quote} band in {sup 83}Y, for which one more connecting transition was found, is of a similar nature to other high-K bands found in this region. Lifetime measurements in the unfavored negative parity band are consistent with cranking calculations which predict a nearly oblate shape with a deformation parameter {beta}{sub 2}{approx}0.2. A qualitative analysis of line shapes at very high spins suggests the persistence of collectivity in the yrast sequence to the highest excitations seen. {copyright} {ital 1997} {ital The American Physical Society}

Abrikosov flux-lines in two-band superconductors with mixed dimensionality

International Nuclear Information System (INIS)

Tanaka, K; Eschrig, M

2009-01-01

We study vortex structure in a two-band superconductor, in which one band is ballistic and quasi-two-dimensional (2D), and the other is diffusive and three-dimensional (3D). A circular cell approximation of the vortex lattice within the quasiclassical theory of superconductivity is applied to a recently developed model appropriate for such a two-band system (Tanaka et al 2006 Phys. Rev. B 73 220501(R); Tanaka et al 2007 Phys. Rev. B 75 214512). We assume that superconductivity in the 3D diffusive band is 'weak', i.e. mostly induced, as is the case in MgB 2 . Hybridization with the 'weak' 3D diffusive band has significant and intriguing influence on the electronic structure of the 'strong' 2D ballistic band. In particular, the Coulomb repulsion and the diffusivity in the 'weak' band enhance suppression of the order parameter and enlargement of the vortex core by magnetic field in the 'strong' band, resulting in reduced critical temperature and field. Moreover, increased diffusivity in the 'weak' band can result in an upward curvature of the upper critical field near the transition temperature. A particularly interesting feature found in our model is the appearance of additional bound states at the gap edge in the 'strong' ballistic band, which are absent in the single-band case. Furthermore, coupling with the 'weak' diffusive band leads to reduced bandgaps and van Hove singularities of energy bands of the vortex lattice in the 'strong' ballistic band. We find these intriguing features for parameter values appropriate for MgB 2 .

A simple model for conduction band states of nitride-based double heteroestructures

Energy Technology Data Exchange (ETDEWEB)

Gaggero-Sager, L M; Mora-Ramos, M E, E-mail: lgaggero@uaem.m [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, CP 62209, Cuernavaca, Morelos (Mexico)

2009-05-01

In this work we propose an analytical expression for the approximate modeling of the potential energy function describing conduction band bending in III-V nitride quantum wells. It is an alternative approach to the self-consistent Poisson-Schoedinger calculation. The model considers the influence of the many electron system and the built-in electric field inside the well. Hartree and exchange contributions are included along the lines of a local-density Thomas-Fermi-based theory. The effects due to the modulated doping in the barriers is also considered. We report the calculation of the energy spectrum as a function of several input parameters: alloy composition in the barriers, barrier doping concentration, and quantum well width. Our results could be of usefulness in the study of optoelectronic properties in this kind of systems.

Determination of the impact of Bi content on the valence band energy of GaAsBi using x-ray photoelectron spectroscopy

Directory of Open Access Journals (Sweden)

K. Collar

2017-07-01

Full Text Available We investigate the change of the valence band energy of GaAs1-xBix (0band energy per addition of 1 % Bi is determined for strained and unstrained thin films using a linear approximation applicable to the dilute regime. Spectroscopic ellipsometry (SE was used as a complementary technique to determine the change in GaAsBi bandgap resulting from Bi addition. Analysis of SE and XPS data together supports the conclusion that ∼75% of the reduction in the bandgap is in the valence band for a compressively strained, dilute GaAsBi thin film at room temperature.

Band gap engineering of BC2N for nanoelectronic applications

Science.gov (United States)

Lim, Wei Hong; Hamzah, Afiq; Ahmadi, Mohammad Taghi; Ismail, Razali

2017-12-01

The BC2N as an example of boron-carbon-nitride (BCN), has the analogous structure as the graphene and boron nitride. It is predicted to have controllable electronic properties. Therefore, the analytical study on the engineer-able band gap of the BC2N is carried out based on the schematic structure of BC2N. The Nearest Neighbour Tight Binding (NNTB) model is employed with the dispersion relation and the density of state (DOS) as the main band gap analysing parameter. The results show that the hopping integrals having the significant effect on the band gap, band structure and DOS of BC2N nanowire (BC2NNW) need to be taken into consideration. The presented model indicates consistent trends with the published computational results around the Dirac points with the extracted band gap of 0.12 eV. Also, it is distinguished that wide energy gap of boron nitride (BN) is successfully narrowed by this carbon doped material which assures the application of BC2N on the nanoelectronics and optoelectronics in the near future.

Theoretical study of charge trapping levels in silicon nitride using the LDA-1/2 self-energy correction scheme for excited states

International Nuclear Information System (INIS)

Patrocinio, Weslley S.; Ribeiro, Mauro; Fonseca, Leonardo R.C.

2012-01-01

Silicon nitride, with a permittivity mid-way between SiO 2 and common high-k materials such as HfO 2 , is widely used in microelectronics as an insulating layer on top of oxides where it serves as an impurity barrier with the positive side effect of increasing the dielectric constant of the insulator when it is SiO 2 . It is also employed as charge storage in nonvolatile memory devices thanks to its high concentration of charge traps. However, in the case of memories, it is still unclear which defects are responsible for charge trapping and what is the impact of defect concentration on the structural and electronic properties of SiN x . Indeed, for the amorphous phase the band gap was measured in the range 5.1–5.5 eV, with long tails in the density of states penetrating the gap region. It is still not clear which defects are responsible for the tails. On the other hand, the K-center defects have been associated with charge trapping, though its origin is assigned to one Si back bond. To investigate the contribution of defect states to the band edge tails and band gap states, we adopted the β phase of stoichiometric silicon nitride (β-Si 3 N 4 ) as our model material and calculated its electronic properties employing ab initio DFT/LDA simulations with self-energy correction to improve the location of defect states in the SiN x band gap through the correction of the band gap underestimation typical of DFT/LDA. We considered some important defects in SiN x , as the Si anti-site and the N vacancy with H saturation, in two defect concentrations. The location of our calculated defect levels in the band gap correlates well with the available experimental data, offering a structural explanation to the measured band edge tails and charge trapping characteristics.

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-07-01

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

A New Fractal-Based Miniaturized Dual Band Patch Antenna for RF Energy Harvesting

Directory of Open Access Journals (Sweden)

Sika Shrestha

2014-01-01

Full Text Available The growth of wireless communications in recent years has made it necessary to develop compact, lightweight multiband antennas. Compact antennas can achieve the same performance as large antennas do with low price and with greater system integration. Dual-frequency microstrip antennas for transmission and reception represent promising approach for doubling the system capacity. In this work, a miniaturized dual band antenna operable at 2.45 and 5.8 GHz is constructed by modifying the standard microstrip patch antenna geometry into a fractal structure. In addition to miniaturization and dual band nature, the proposed antenna also removes unwanted harmonics without the use of additional filter component. Using a finite-element-method-based high frequency structure simulator (HFSS, the antenna is designed and its performance in terms of return loss, impedance matching, radiation pattern, and voltage standing wave ratio (VSWR is demonstrated. Simulation results are shown to be in close agreement with performance measurements from an actual antenna fabricated on an FR4 substrate. The proposed antenna can be integrated with a rectifier circuit to develop a compact rectenna that can harvest RF energy in both of these frequency bands at a reduction in size of 25.98% relative to a conventional rectangular patch antenna.

State energy price and expenditure report 1990

International Nuclear Information System (INIS)

1992-01-01

The State Energy Price and Expenditure Report (SEPER) presents energy price and expenditure estimates individually for the 50 States and the District of Columbia and in aggregate for the United States. The estimates are provided by energy source and economic sector. This report is an update of the State Energy Price and Expenditure Report 1989 published in September 1991. Energy price and expenditure estimates are published for the years 1970, 1975, 1980, and 1985 through 1990. Documentation follows the tables and describes how the price estimates are developed, including sources of data, methods of estimation, and conversion factors applied

Multi-quasi-particle states in 173Hf

International Nuclear Information System (INIS)

Fabricius, B.; Dracoulis, G.D.; Kibedi, T.; Stuchbery, A.E.; Baxter, A.M.

1991-01-01

Rotational bands built on 1, 3 and 5 quasi-particle (qp) states in 173 Hf have been populated to medium and high spins through the 160 Gd( 18 O, 5n) reaction. The 1qp bands, previously identified as the 1/2 - [521], 5/2 - [512] and 7/2 + [633] (mixed i 13/2 ) Nilsson configurations, have been extended past the first back-bend and show different alignment properties, possibly originating from deformation differences. The multi-particle states were identified from excitation energies, the properties of their associated band structures and decay patterns. The 3qp states are the previously known K π =19/2 + and 23/2 - isomeric states originating from the 7/2 + [633] quasi-neutron coupled to the 6 + and 8 - , 2-quasi-proton excitations and a K π =(13/2 + ) state possibly containing the three lowest quasi-neutrons. A 5qp state with K π =(29/2 - ) was identified as the same three lowest lying quasi-neutrons coupled to the 8 - , 2-quasi-proton excitation. The low excitation energies of these two related 3- and 5-quasi-particle states implies a reduced neutron pairing gap, which can be attributed to the effect of blocking. (orig.)

Engineered band structure for an enhanced performance on quantum dot-sensitized solar cells

Energy Technology Data Exchange (ETDEWEB)

Jin, Bin Bin [Key Laboratory of Macromolecular Science of Shaanxi Province and School of Materials Science and Engineering, Shaanxi Normal University, Xi' an 710062 (China); Department of Chemical Engineering, Institute of Chemical Industry, Shaanxi Institute of Technology, Xi' an 710300 (China); Wang, Ye Feng [School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi' an 710062 (China); Wei, Dong; Chen, Yu; Zeng, Jing Hui, E-mail: jhzeng@ustc.edu [Key Laboratory of Macromolecular Science of Shaanxi Province and School of Materials Science and Engineering, Shaanxi Normal University, Xi' an 710062 (China); Cui, Bin [School of Chemistry and Materials Science, Northwestern University, Xi' an 710620 (China)

2016-06-20

A photon-to-current efficiency of 2.93% is received for the Mn-doped CdS (MCdS)-quantum dot sensitized solar cells (QDSSCs) using Mn:ZnO (MZnO) nanowire as photoanode. Hydrothermal synthesized MZnO are spin-coated on fluorine doped tin oxide (FTO) glass with P25 paste to serve as photoanode after calcinations. MCdS was deposited on the MZnO film by the successive ionic layer adsorption and reaction method. The long lived excitation energy state of Mn{sup 2+} is located inside the conduction band in the wide bandgap ZnO and under the conduction band of CdS, which increases the energetic overlap of donor and acceptor states, reducing the “loss-in-potential,” inhibiting charge recombination, and accelerating electron injection. The engineered band structure is well reflected by the electrochemical band detected using cyclic voltammetry. Cell performances are evidenced by current density-voltage (J-V) traces, diffuse reflectance spectra, transient PL spectroscopy, and incident photon to current conversion efficiency characterizations. Further coating of CdSe on MZnO/MCdS electrode expands the light absorption band of the sensitizer, an efficiency of 4.94% is received for QDSSCs.

A Cross-Cultural Examination of University Students' Motivation toward Band and Academics in Singapore and the United States

Science.gov (United States)

Tan, Leonard; Miksza, Peter

2018-01-01

The purpose of the study was to investigate how university band students' (non--music majors) motivational goal orientations toward band and academics differ across participants from Singapore (n = 200) and the United States (n = 227) and examine how they relate to a suite of adaptive dispositions (i.e., flow, grit, and commitment) relevant for…

Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation

KAUST Repository

Silver, Scott

2018-02-13

This study presents a combined experimental and theoretical study of the electronic structure of two 2D metal halide perovskite films. Ultraviolet and inverse photoemission spectroscopies are performed on solution-processed thin films of the n = 1 layered perovskite butylammonium lead iodide and bromide, BA2PbI4 and BA2PbBr4, characterized by optical absorption and X-ray diffraction, to determine their valence and conduction band densities of states, transport gaps, and exciton binding energies. The electron spectroscopy results are compared with the densities of states determined by density functional theory calculations. The remarkable agreement between experiment and calculation enables a detailed identification and analysis of the organic and inorganic contributions to the valence and conduction bands of these two hybrid perovskites. The electron affinity and ionization energies are found to be 3.1 and 5.8 eV for BA2PbI4, and 3.1 and 6.5 eV for BA2PbBr4. The exciton binding energies are estimated to be 260 and 300 meV for the two materials, respectively. The 2D lead iodide and bromide perovskites exhibit significantly less band dispersion and a larger density of states at the band edges than the 3D analogs. The effects of using various organic ligands are also discussed.

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

Science.gov (United States)

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

2013-11-22

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

A chain-of-states acceleration method for the efficient location of minimum energy paths

Energy Technology Data Exchange (ETDEWEB)

Hernández, E. R., E-mail: Eduardo.Hernandez@csic.es; Herrero, C. P. [Instituto de Ciencia de Materiales de Madrid (ICMM–CSIC), Campus de Cantoblanco, 28049 Madrid (Spain); Soler, J. M. [Departamento de Física de la Materia Condensada and IFIMAC, Universidad Autónoma de Madrid, 28049 Madrid (Spain)

2015-11-14

We describe a robust and efficient chain-of-states method for computing Minimum Energy Paths (MEPs) associated to barrier-crossing events in poly-atomic systems, which we call the acceleration method. The path is parametrized in terms of a continuous variable t ∈ [0, 1] that plays the role of time. In contrast to previous chain-of-states algorithms such as the nudged elastic band or string methods, where the positions of the states in the chain are taken as variational parameters in the search for the MEP, our strategy is to formulate the problem in terms of the second derivatives of the coordinates with respect to t, i.e., the state accelerations. We show this to result in a very simple and efficient method for determining the MEP. We describe the application of the method to a series of test cases, including two low-dimensional problems and the Stone-Wales transformation in C{sub 60}.

A chain-of-states acceleration method for the efficient location of minimum energy paths

International Nuclear Information System (INIS)

Hernández, E. R.; Herrero, C. P.; Soler, J. M.

2015-01-01

We describe a robust and efficient chain-of-states method for computing Minimum Energy Paths (MEPs) associated to barrier-crossing events in poly-atomic systems, which we call the acceleration method. The path is parametrized in terms of a continuous variable t ∈ [0, 1] that plays the role of time. In contrast to previous chain-of-states algorithms such as the nudged elastic band or string methods, where the positions of the states in the chain are taken as variational parameters in the search for the MEP, our strategy is to formulate the problem in terms of the second derivatives of the coordinates with respect to t, i.e., the state accelerations. We show this to result in a very simple and efficient method for determining the MEP. We describe the application of the method to a series of test cases, including two low-dimensional problems and the Stone-Wales transformation in C 60

Energy Efficiency Resources to Support State Energy Planning

Energy Technology Data Exchange (ETDEWEB)

Office of Strategic Programs, Strategic Priorities and Impact Analysis Team

2017-06-01

An early step for most energy efficiency planning is to identify and quantify energy savings opportunities, and then to understand how to access this potential. The U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy offers resources that can help with both of these steps. This fact sheet presents those resources. The resources are also available on the DOE State and Local Solution Center on the "Energy Efficiency: Savings Opportunities and Benefits" page: https://energy.gov/eere/slsc/energy-efficiency-savings-opportunities-and-benefits.

Nanoscale probing of bandgap states on oxide particles using electron energy-loss spectroscopy.

Science.gov (United States)

Liu, Qianlang; March, Katia; Crozier, Peter A

2017-07-01

Surface and near-surface electronic states were probed with nanometer spatial resolution in MgO and TiO 2 anatase nanoparticles using ultra-high energy resolution electron energy-loss spectroscopy (EELS) coupled to a scanning transmission electron microscope (STEM). This combination allows the surface electronic structure determined with spectroscopy to be correlated with nanoparticle size, morphology, facet etc. By acquiring the spectra in aloof beam mode, radiation damage to the surface can be significantly reduced while maintaining the nanometer spatial resolution. MgO and TiO 2 showed very different bandgap features associated with the surface/sub-surface layer of the nanoparticles. Spectral simulations based on dielectric theory and density of states models showed that a plateau feature found in the pre-bandgap region in the spectra from (100) surfaces of 60nm MgO nanocubes is consistent with a thin hydroxide surface layer. The spectroscopy shows that this hydroxide species gives rise to a broad filled surface state at 1.1eV above the MgO valence band. At the surfaces of TiO 2 nanoparticles, pronounced peaks were observed in the bandgap region, which could not be well fitted to defect states. In this case, the high refractive index and large particle size may make Cherenkov or guided light modes the likely causes of the peaks. Copyright © 2016 Elsevier B.V. All rights reserved.