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

Absolute E0 and E2 transition rates and collective states in 116Sn

International Nuclear Information System (INIS)

Kantele, J.; Julin, R.; Luontama, M.; Passoja, A.; Poikolainen, T.; Baecklin, A.; Jonsson, N.-G.

1978-08-01

Absolute E0 and E2 transition rates in 116 Sn have been measured using several newly developed techniques. Many E2 transitions are observed to have a collective character with B(E2) values of up to 60 W.u. The presence of deformed excited states in 116 Sn is discussed in view of the results obtained. (author)

Band gap tuning in transition metal oxides by site-specific substitution

Science.gov (United States)

Lee, Ho Nyung; Chisholm, Jr., Matthew F; Jellison, Jr., Gerald Earle; Singh, David J; Choi, Woo Seok

2013-12-24

A transition metal oxide insulator composition having a tuned band gap includes a transition metal oxide having a perovskite or a perovskite-like crystalline structure. The transition metal oxide includes at least one first element selected form the group of Bi, Ca, Ba, Sr, Li, Na, Mg, K, Pb, and Pr; and at least one second element selected from the group of Ti, Al, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Rh, Hf, Ta, W, Re, Os, Ir, and Pt. At least one correlated insulator is integrated into the crystalline structure, including REMO.sub.3, wherein RE is at least one Rare Earth element, and wherein M is at least one element selected from the group of Co, V, Cr, Ni, Mn, and Fe. The composition is characterized by a band gap of less of 4.5 eV.

Empirical correction for PM7 band gaps of transition-metal oxides.

Science.gov (United States)

Liu, Xiang; Sohlberg, Karl

2016-01-01

A post-calculation correction is established for PM7 band gaps of transition-metal oxides. The correction is based on the charge on the metal cation of interest, as obtained from MOPAC PM7 calculations. Application of the correction reduces the average error in the PM7 band gap from ~3 eV to ~1 eV. The residual error after correction is shown to be uncorrelated to the Hartree-Fock method upon which PM7 is based. Graphical Abstract Comparison between calculated band gaps and experimental band gaps for binary oxides. The orange crosses are for corrected PM7 band gaps. Blue squares are uncorrected values. The orange crosses fall closer to the diagonal dashed line, showing an overall improvement of the accuracy of calculated values.

Experimental mapping of the absolute magnitude of the transition dipole moment function μe(R) of the Na2 AΣ1u+-XΣ1g+ transition

Science.gov (United States)

Ahmed, E. H.; Qi, P.; Beser, B.; Bai, J.; Field, R. W.; Huennekens, J. P.; Lyyra, A. M.

2008-05-01

The absolute magnitude of the transition dipole moment function μe(R) of the AΣ1u+-XΣ1g+ band system of Na2 was mapped experimentally over a relatively large range of internuclear distance R . The transition dipole moment matrix element of a set of rovibrational transitions between the AΣ1u+ and XΣ1g+ states was measured using the Autler-Townes effect. By employing the R -centroid approximation, or a fit to a polynomial function involving higher order R centroids, μe as a function of the internuclear distance was obtained. These Autler-Townes effect based measurements yield the absolute magnitude of μe , which can be used to test ab initio theoretical transition dipole moment functions or to “normalize” experimental transition moment functions obtained from intensity measurements, which in general give only the relative behavior of μe(R) .

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

International Nuclear Information System (INIS)

Carvalho, J.A.B. de.

1974-03-01

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

Reformulated tight binding calculation for band discontinuity at CdTe/Hg xCd1-xTe heterointerfaces and their type I-type III transitions

International Nuclear Information System (INIS)

Ekpunobi, A.J.

2005-01-01

A recently reformulated tight binding method is used to calculate the valence band discontinuity at the CdTe/Hg x Cd 1-x Te interface in the s 2 p 2 configuration. The calculated valence band discontinuity of 0.31 eV at CdTe/HgTe interface is in good agreement with self-consistent calculation and accepted experimental value. Calculations were extended to alloy interfaces, which enabled the investigation of the band-offset problem at the transition point. Both valence band discontinuity ratio and conduction band discontinuity ratio show inflexions at the transition point

Photoelectrochemical properties and band structure of oxide films on zirconium-transition metal alloys

International Nuclear Information System (INIS)

Takahashi, Kazuo; Uno, Masayoshi; Okui, Mihoko; Yamanaka, Shinsuke

2006-01-01

The microalloying effects of 4d and 5d transition metals, M (M: Nb, Mo, Ta, W) on the photoelectrochemical properties, the flat band potential (U fb ) and the band gap energy (E g ), for zirconium oxide films were investigated by photoelectrochemical measurements and band calculation. Button ingots of zirconium-5 mol% M (M: Nb, Mo, Ta, W) were made from high-purity metals (99.9% purity) by arc melting in a purified argon atmosphere. These plate specimens were sealed into silica tubes in vacuum, and then homogenized at 1273 K for 24 h. Subsequently, these specimens were oxidized up to 1173 K. The photocurrent of each specimen was evaluated at room temperature under the irradiation of Xe lamp (500 W) through grating monochrometer and cut-off filter. 0.1 M Na 2 SO 4 solution was used as the electrolyte. The value of the flat band potential was higher and the value of the band gap energy was smaller than that of pure zirconium oxide film in all sample. It was found from the calculation by CASTEP code that the decreases in band gap energy of these oxide films was due to formation of 4d or 5d orbital of transition metals

H-point exciton transitions in bulk MoS2

International Nuclear Information System (INIS)

Saigal, Nihit; Ghosh, Sandip

2015-01-01

Reflectance and photoreflectance spectrum of bulk MoS 2 around its direct bandgap energy have been measured at 12 K. Apart from spectral features due to the A and B ground state exciton transitions at the K-point of the Brillouin zone, one observes additional features at nearby energies. Through lineshape analysis the character of two prominent additional features are shown to be quite different from that of A and B. By comparing with reported electronic band structure calculations, these two additional features are identified as ground state exciton transitions at the H-point of the Brillouin zone involving two spin-orbit split valance bands. The excitonic energy gap at the H-point is 1.965 eV with a valance bands splitting of 185 meV. While at the K-point, the corresponding values are 1.920 eV and 205 meV, respectively

Electrically controlled band gap and topological phase transition in two-dimensional multilayer germanane

International Nuclear Information System (INIS)

Qi, Jingshan; Li, Xiao; Qian, Xiaofeng

2016-01-01

Electrically controlled band gap and topological electronic states are important for the next-generation topological quantum devices. In this letter, we study the electric field control of band gap and topological phase transitions in multilayer germanane. We find that although the monolayer and multilayer germananes are normal insulators, a vertical electric field can significantly reduce the band gap of multilayer germananes owing to the giant Stark effect. The decrease of band gap eventually leads to band inversion, transforming them into topological insulators with nontrivial Z_2 invariant. The electrically controlled topological phase transition in multilayer germananes provides a potential route to manipulate topologically protected edge states and design topological quantum devices. This strategy should be generally applicable to a broad range of materials, including other two-dimensional materials and ultrathin films with controlled growth.

Tuning the band gap of PbCrO{sub 4} through high-pressure: Evidence of wide-to-narrow semiconductor transitions

Energy Technology Data Exchange (ETDEWEB)

Errandonea, D., E-mail: daniel.errandonea@uv.es [Departamento de Física Aplicada-ICMUV, Universitat de València, MALTA ConsoliderTeam, C/Dr. Moliner 50, 46100 Burjassot (Spain); Bandiello, E.; Segura, A. [Departamento de Física Aplicada-ICMUV, Universitat de València, MALTA ConsoliderTeam, C/Dr. Moliner 50, 46100 Burjassot (Spain); Hamlin, J.J.; Maple, M.B. [Department of Physics, University of California, San Diego, La Jolla, CA 92093 (United States); Rodriguez-Hernandez, P.; Muñoz, A. [Departamento de Física Fundamental II, Instituto de Materiales y Nanotecnología, Universidad de La Laguna, MALTA ConsoliderTeam, La Laguna, 38205 Tenerife (Spain)

2014-02-25

Highlights: • Electronic and optical properties of PbCrO{sub 4} are studied under compression. • Band-gap collapses are observed and correlated with structural phase transitions. • PbCrO{sub 4} band-gap is reduced from 2.3 to 0.8 eV in a 20 GPa range. • PbCrO{sub 4} is an n-type semiconductor with donor levels associated to Frenkel defects. • A deep-to-shallow donor transformation at HP induces a large resistivity decrease. -- Abstract: The electronic transport properties and optical properties of lead(II) chromate (PbCrO{sub 4}) have been studied at high pressure by means of resistivity, Hall-effect, and optical-absorption measurements. Band-structure first-principle calculations have been also performed. We found that the low-pressure phase is a direct band-gap semiconductor (Eg = 2.3 eV) that shows a high resistivity. At 3.5 GPa, associated to a structural phase transition, a band-gap collapse takes place, becoming Eg = 1.8 eV. At the same pressure the resistivity suddenly decreases due to an increase of the carrier concentration. In the HP phase, PbCrO{sub 4} behaves as an n-type semiconductor, with a donor level probably associated to the formation of oxygen vacancies. At 15 GPa a second phase transition occurs to a phase with Eg = 1.2 eV. In this phase, the resistivity increases as pressure does probably due to the self-compensation of donor levels and the augmentation of the scattering of electrons with ionized impurities. In the three phases the band gap red shifts under compression. At 20 GPa, Eg reaches a value of 0.8 eV, behaving PbCrO{sub 4} as a narrow-gap semiconductor.

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.

Transition-metal impurities in semiconductors and heterojunction band lineups

Science.gov (United States)

Langer, Jerzy M.; Delerue, C.; Lannoo, M.; Heinrich, Helmut

1988-10-01

The validity of a recent proposal that transition-metal impurity levels in semiconductors may serve as a reference in band alignment in semiconductor heterojunctions is positively verified by using the most recent data on band offsets in the following lattice-matched heterojunctions: Ga1-xAlxAs/GaAs, In1-xGaxAsyP1-y/InP, In1-xGaxP/GaAs, and Cd1-xHgxTe/CdTe. The alignment procedure is justified theoretically by showing that transition-metal energy levels are effectively pinned to the average dangling-bond energy level, which serves as the reference level for the heterojunction band alignment. Experimental and theoretical arguments showing that an increasingly popular notion on transition-metal energy-level pinning to the vacuum level is unjustified and must be abandoned in favor of the internal-reference rule proposed recently [J. M. Langer and H. Heinrich, Phys. Rev. Lett. 55, 1414 (1985)] are presented.

Conduction-band valley spin splitting in single-layer H-T l2O

Science.gov (United States)

Ma, Yandong; Kou, Liangzhi; Du, Aijun; Huang, Baibiao; Dai, Ying; Heine, Thomas

2018-02-01

Despite numerous studies, coupled spin and valley physics is currently limited to two-dimensional (2D) transition-metal dichalcogenides (TMDCs). Here, we predict an exceptional 2D valleytronic material associated with the spin-valley coupling phenomena beyond 2D TMDCs—single-layer (SL) H-T l2O . It displays large valley spin splitting (VSS), significantly larger than that of 2D TMDCs, and a finite band gap, which are both critically attractive for the integration of valleytronics and spintronics. More importantly, in sharp contrast to all the experimentally confirmed 2D valleytronic materials, where the strong valence-band VSS (0.15-0.46 eV) supports the spin-valley coupling, the VSS in SL H-T l2O is pronounced in its conduction band (0.61 eV), but negligibly small in its valence band (21 meV), thus opening a way for manipulating the coupled spin and valley physics. Moreover, SL H-T l2O possesses extremely high carrier mobility, as large as 9.8 ×103c m2V-1s-1 .

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.

Electromagnetic transition probabilities in the natural-parity rotational bands of 155,157Gd

International Nuclear Information System (INIS)

Kusakari, H.; Oshima, M.; Uchikura, A.; Sugawara, M.; Tomotani, A.; Ichikawa, S.; Iimura, H.; Morikawa, T.; Inamura, T.; Matsuzaki, M.

1992-01-01

The ground-state rotational bands of 155 Gd and 157 Gd have been investigated through multiple Coulomb excitation with beams of 240-MeV 58 Ni and 305-MeV 81 Br. Gamma-ray branchings and E2/M1 mixing ratios were determined by γ-ray angular-distribution measurement. Nuclear lifetimes of levels up to I=21/2 and 23/2 for 155,157 Gd, respectively, have been measured using the Doppler-shift recoil-distance method. The observed signature dependence of M1 transition rates was found to be inverted in relation to the quasiparticle energy splitting. The data are analyzed in terms of the cranking model

Stark Interference of Electric and Magnetic Dipole Transitions in the A-X Band of OH.

Science.gov (United States)

Schewe, H Christian; Zhang, Dongdong; Meijer, Gerard; Field, Robert W; Sartakov, Boris G; Groenenboom, Gerrit C; van der Avoird, Ad; Vanhaecke, Nicolas

2016-04-15

An experimental method is demonstrated that allows determination of the ratio between the electric (E1) and magnetic (M1) transition dipole moments in the A-X band of OH, including their relative sign. Although the transition strengths differ by more than 3 orders of magnitude, the measured M1-to-E1 ratio agrees with the ratio of the ab initio calculated values to within 3%. The relative sign is found to be negative, also in agreement with theory.

Photoluminescence measurements of the 1,55 eV band of Ge doped Al sub(x)Ga sub(1-x)As

International Nuclear Information System (INIS)

Furtado, M.T.; Weid, J.P. von der.

1984-01-01

The photoluminescence of the 1,55 eV band of Ge doped Al sub(x)Ga sub(1-x)As, with x=0.30-0.33, grown by liquid phase epitaxy is presented. The broad shape was found to be due to a lattice relaxation upon optical transitions. Resonant modes with (h/2π)ω sub(q) approx. 35 + - 2 meV and (h/2π) ω sub(q) approx. 45 + - 2 meV are found for the optical band, yielding a zero phonon transition energy - 1.73 + - 0.02 eV and a Franck-Condon shift approx. 0.17-0.20 eV for the optical center. The activation energy of thermal quenching yields an associated donnor binding energy of 0.17 + - 0.04 eV. Possible mechanisms for the radiative transitions are discussed. (Author) [pt

Energetics of discrete selectivity bands and mutation-induced transitions in the calcium-sodium ion channels family.

Science.gov (United States)

Kaufman, I; Luchinsky, D G; Tindjong, R; McClintock, P V E; Eisenberg, R S

2013-11-01

We use Brownian dynamics (BD) simulations to study the ionic conduction and valence selectivity of a generic electrostatic model of a biological ion channel as functions of the fixed charge Q(f) at its selectivity filter. We are thus able to reconcile the discrete calcium conduction bands recently revealed in our BD simulations, M0 (Q(f)=1e), M1 (3e), M2 (5e), with a set of sodium conduction bands L0 (0.5e), L1 (1.5e), thereby obtaining a completed pattern of conduction and selectivity bands vs Q(f) for the sodium-calcium channels family. An increase of Q(f) leads to an increase of calcium selectivity: L0 (sodium-selective, nonblocking channel) → M0 (nonselective channel) → L1 (sodium-selective channel with divalent block) → M1 (calcium-selective channel exhibiting the anomalous mole fraction effect). We create a consistent identification scheme where the L0 band is putatively identified with the eukaryotic sodium channel The scheme created is able to account for the experimentally observed mutation-induced transformations between nonselective channels, sodium-selective channels, and calcium-selective channels, which we interpret as transitions between different rows of the identification table. By considering the potential energy changes during permeation, we show explicitly that the multi-ion conduction bands of calcium and sodium channels arise as the result of resonant barrierless conduction. The pattern of periodic conduction bands is explained on the basis of sequential neutralization taking account of self-energy, as Q(f)(z,i)=ze(1/2+i), where i is the order of the band and z is the valence of the ion. Our results confirm the crucial influence of electrostatic interactions on conduction and on the Ca(2+)/Na(+) valence selectivity of calcium and sodium ion channels. The model and results could be also applicable to biomimetic nanopores with charged walls.

RPC Calculations for K-forbidden Transitions in {sup 183}W, Evidence for Large Inertial Parameter Connected with High-lying Rotational Bands

Energy Technology Data Exchange (ETDEWEB)

Malmskog, S G [AB Atomenergi, Nykoeping (Sweden); Wahlborn, S [Div. of Theore tical Physics, Royal Inst. of Technology Stockholm (Sweden)

1967-09-15

Recent measurements have shown that the transitions deexciting the 453 keV 7/2{sup -} level in {sup 183}W to the K = 1/2{sup -} and 3/2{sup -} bands are strongly retarded. The data for B(M1) and B(E2) are analyzed in terms of the RPC model (rotation + particle motion + coupling). With the {delta}K = 1 (Coriolis) coupling, the K-forbidden M1-transitions proceed via admixtures of high-lying 5/2{sup -} bands. A reasonable and unambiguous fit to the data is obtained by varying the strength of the coupling. Allowing for various uncertainties and corrections, one finds that the inertial parameter (the inverse of the coupling constant, i. e. 2J(2{pi}){sup 2}/({Dirac_h}){sup 2} may have values between roughly 1 and 3 times the rigid rotator value of 2J(2{pi}){sup 2}/({Dirac_h}){sup 2}, thus being unexpectedly large. Calculations with the {delta}K=2 coupling were also performed and turn out not to give better agreement with experiment.

Reformulated tight binding calculation for band discontinuity at CdTe/Hg {sub x}Cd{sub 1-x}Te heterointerfaces and their type I-type III transitions

Energy Technology Data Exchange (ETDEWEB)

Ekpunobi, A.J. [Department of Physics and Industrial Physics, Nnamdi Azikiwe University, P.M.B. 5025, Awka, Anambra State (Nigeria)

2005-02-25

A recently reformulated tight binding method is used to calculate the valence band discontinuity at the CdTe/Hg {sub x}Cd{sub 1-x}Te interface in the s{sup 2}p{sup 2} configuration. The calculated valence band discontinuity of 0.31 eV at CdTe/HgTe interface is in good agreement with self-consistent calculation and accepted experimental value. Calculations were extended to alloy interfaces, which enabled the investigation of the band-offset problem at the transition point. Both valence band discontinuity ratio and conduction band discontinuity ratio show inflexions at the transition point.

Microscopic description of the three major bands in transitional nuclei

International Nuclear Information System (INIS)

Pineda S, R.L.

1986-01-01

The author has extended the Coherent Phonon Model to the description of the three major bands in medium heavy transitional nuclei. The model assumes an axially symmetric deformed ground intrinsic state for the description of the low lying yrast levels of the ground band, while the excited bands are generated by intrinsic excitations of the ground band. Good angular momentum states are generated by the Peierls-Yoccoz angular momentum projection method

Generalized Michailov plot analysis of inband E2 transitions of deformed nuclei

International Nuclear Information System (INIS)

Long, G.L.; Zhang, W.L.; Ji, H.Y.; Gao, J.F.

1998-01-01

Intraband E2 transitions of some 30 deformed nuclei are analysed using a generalized Michailov plot, based on an E2 transition formula in the SU(3) limit of the sdg interacting boson model. The general E2 transition formula in the sdg-IBM has an L(L+3) term in addition to the usual SU(3) model result. It is found that the general E2 formula can describe the inband transitions well. Comparisons with other models are made. The implications of the results are also discussed. (author)

Electronic band structure and charge density wave transition in quasi-2D KMo6O17 purple bronze

Science.gov (United States)

Valbuena, M. A.; Avila, J.; Vyalikh, D. V.; Guyot, H.; Laubschat, C.; Molodtsov, S. L.; Asensio, M. C.

2008-03-01

High resolution angle-resolved photoemission of quasi-2D KMo6O17 purple bronze has been performed in the range from room temperature to 130 K, slightly above the charge density wave (CDW) transition (Tc = 110 K), and down to 35 K (well below Tc). In this paper we report a detailed study of how electronic band structure is affected by this transition driven by the hidden nesting scenario. The expected spectroscopic fingerprints of the CDW phase transition have been found and discussed according to the hidden one dimension and the development of a quasi-commensurate CDW. The excellent agreement between theory and our experimental results makes of potassium purple bronze a reference system for studying this type of instabilities.

Electronic band structure and charge density wave transition in quasi-2D KMo6O17 purple bronze

International Nuclear Information System (INIS)

Valbuena, M A; Avila, J; Asensio, M C; Vyalikh, D V; Laubschat, C; Molodtsov, S L; Guyot, H

2008-01-01

High resolution angle-resolved photoemission of quasi-2D KMo 6 O 17 purple bronze has been performed in the range from room temperature to 130 K, slightly above the charge density wave (CDW) transition (T c = 110 K), and down to 35 K (well below T c ). In this paper we report a detailed study of how electronic band structure is affected by this transition driven by the hidden nesting scenario. The expected spectroscopic fingerprints of the CDW phase transition have been found and discussed according to the hidden one dimension and the development of a quasi-commensurate CDW. The excellent agreement between theory and our experimental results makes of potassium purple bronze a reference system for studying this type of instabilities

Oblate L = 1 bands in 194,196-201Pb, and 193Hg

International Nuclear Information System (INIS)

Becker, J.A.; Kuhnert, A.; Stoyer, M.A.; Brinkman, M.J.; Wang, T.F.; Roy, N.; Cizewski, J.A.; Stephens, F.S.; Deleplanque, M.A.; Diamond, R.M.; Azaiez, F.; Macchiavelli, A.O.; Korten, W.; Draper, J.E.; California Univ., Berkeley, CA

1992-11-01

Reports of recent experiments have included observations of regular and irregular bands in neutron deficient Pb isotopes with A=194, 196--201. The bands are populated strongly in HI,xn reactions. The shared characteristics of the bands include: (1) Bandhead energies of few MeV; (2) High bandhead spin; (3) Large alignments; (4) Small dynamic moments of inertia, and (5) Strong L = 1 transitions and weaker L = 2 crossover transitions, with B(Ml/B(E2)) ∼ 20 μ 2 /e 2 b 2 . Lifetimes of band members in the 198 Pb regular band are B(Ml) ∼ 1 W.u., and B(E2) ∼ 10 W.u. (with large errors). These observations are consistent with an interpretation of the regular structures as collective oblate bands with both proton and neutron excitations involved; the closed proton shell at Z = 82 is broken, and coupled to v(i l3/2 ) -n excitations. The irregular structures may correspond to triaxial shapes, with similar orbits involved. A similar structure has been also found in 193 Hg

Energetic band structure of Zn3P2 crystals

Science.gov (United States)

Stamov, I. G.; Syrbu, N. N.; Dorogan, A. V.

2013-01-01

Optical functions n, k, ε1, ε2 and d2ε2/dE2 have been determined from experimental reflection spectra in the region of 1-10 eV. The revealed electronic transitions are localized in the Brillouin zone. The magnitude of valence band splitting caused by the spin-orbital interaction ΔSO is lower than the splitting caused by the crystal field ΔCR in the center of Brillouin zone and L and X points. The switching effects are investigated in Zn3P2 crystals. The characteristics of experimental samples with electric switching, adjustable resistors, and time relays based on Zn3P2 are presented.

Band Alignment at GaN/Single-Layer WSe2 Interface

KAUST Repository

Tangi, Malleswararao

2017-02-21

We study the band discontinuity at the GaN/single-layer (SL) WSe2 heterointerface. The GaN thin layer is epitaxially grown by molecular beam epitaxy on chemically vapor deposited SL-WSe2/c-sapphire. We confirm that the WSe2 was formed as an SL from structural and optical analyses using atomic force microscopy, scanning transmission electron microscopy, micro-Raman, absorbance, and microphotoluminescence spectra. The determination of band offset parameters at the GaN/SL-WSe2 heterojunction is obtained by high-resolution X-ray photoelectron spectroscopy, electron affinities, and the electronic bandgap values of SL-WSe2 and GaN. The valence band and conduction band offset values are determined to be 2.25 ± 0.15 and 0.80 ± 0.15 eV, respectively, with type II band alignment. The band alignment parameters determined here provide a route toward the integration of group III nitride semiconducting materials with transition metal dichalcogenides (TMDs) for designing and modeling of their heterojunction-based electronic and optoelectronic devices.

Band Alignment at GaN/Single-Layer WSe2 Interface

KAUST Repository

Tangi, Malleswararao; Mishra, Pawan; Tseng, Chien-Chih; Ng, Tien Khee; Hedhili, Mohamed N.; Anjum, Dalaver H.; Alias, Mohd Sharizal; Wei, Nini; Li, Lain-Jong; Ooi, Boon S.

2017-01-01

We study the band discontinuity at the GaN/single-layer (SL) WSe2 heterointerface. The GaN thin layer is epitaxially grown by molecular beam epitaxy on chemically vapor deposited SL-WSe2/c-sapphire. We confirm that the WSe2 was formed as an SL from structural and optical analyses using atomic force microscopy, scanning transmission electron microscopy, micro-Raman, absorbance, and microphotoluminescence spectra. The determination of band offset parameters at the GaN/SL-WSe2 heterojunction is obtained by high-resolution X-ray photoelectron spectroscopy, electron affinities, and the electronic bandgap values of SL-WSe2 and GaN. The valence band and conduction band offset values are determined to be 2.25 ± 0.15 and 0.80 ± 0.15 eV, respectively, with type II band alignment. The band alignment parameters determined here provide a route toward the integration of group III nitride semiconducting materials with transition metal dichalcogenides (TMDs) for designing and modeling of their heterojunction-based electronic and optoelectronic devices.

Dilatancy induced ductile-brittle transition of shear band in metallic glasses

Science.gov (United States)

Zeng, F.; Jiang, M. Q.; Dai, L. H.

2018-04-01

Dilatancy-generated structural disordering, an inherent feature of metallic glasses (MGs), has been widely accepted as the physical mechanism for the primary origin and structural evolution of shear banding, as well as the resultant shear failure. However, it remains a great challenge to determine, to what degree of dilatation, a shear banding will evolve into a runaway shear failure. In this work, using in situ acoustic emission monitoring, we probe the dilatancy evolution at the different stages of individual shear band in MGs that underwent severely plastic deformation by the controlled cutting technology. A scaling law is revealed that the dilatancy in a shear band is linearly related to its evolution degree. A transition from ductile-to-brittle shear bands is observed, where the formers dominate stable serrated flow, and the latter lead to a runaway instability (catastrophe failure) of serrated flow. To uncover the underlying mechanics, we develop a theoretical model of shear-band evolution dynamics taking into account an atomic-scale deformation process. Our theoretical results agree with the experimental observations, and demonstrate that the atomic-scale volume expansion arises from an intrinsic shear-band evolution dynamics. Importantly, the onset of the ductile-brittle transition of shear banding is controlled by a critical dilatation.

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.

Photoreflectance study of the near-band-edge transitions of chemical vapor deposition-grown mono- and few-layer MoS{sub 2} films

Energy Technology Data Exchange (ETDEWEB)

Lin, Kuang-I, E-mail: kilin@mail.ncku.edu.tw [Center for Micro/Nano Science and Technology, National Cheng Kung University, Tainan 70101, Taiwan (China); Chen, Yen-Jen; Wang, Bo-Yan; Cheng, Yung-Chen [Department of Materials Science, National University of Tainan, Tainan 70005, Taiwan (China); Chen, Chang-Hsiao, E-mail: chsiaoc@fcu.edu.tw [Department of Automatic Control Engineering, Feng Chia University, Taichung 40724, Taiwan (China)

2016-03-21

Room-temperature photoreflectance (PR) and reflectance (R) spectroscopy are utilized to investigate the near-band-edge transitions of molybdenum disulfide (MoS{sub 2}) thin films grown on sapphire substrates by a hot-wall chemical vapor deposition system. The layer thickness and optical properties of the MoS{sub 2} thin films are confirmed by Raman spectroscopy, atomic force microscope, and photoluminescence (PL) analysis. The B exciton shows relatively weak PL intensity in comparing with the A exciton even for monolayer MoS{sub 2} films. In the R spectrum of few‐layer MoS{sub 2}, it is not possible to clearly observe exciton related features. The PR spectra have two sharp, derivative-like features on a featureless background. Throughout the PR lineshape fitting, the transition energies are designated as the A and B excitons at the K-point of the Brillouin zone, but at room temperature there seems to be no distinguishable feature corresponding to an H‐point transition for the mono- and few-layer MoS{sub 2} films unlike in bulk. These transition energies are slightly larger than those obtained by PL, which is attributed to the Stokes shifts related to doping level. The obtained values of valence-band spin-orbit splitting are in good agreement with those from other experimental methods. By comparing the PR lineshapes, the dominant modulation mechanism is attributed to variations of the exciton transition energies due to change in the built-in electric field. On the strength of this study, PR spectroscopy is demonstrated as a powerful technique for characterizing the near-band-edge transitions of MoS{sub 2} from monolayer to bulk.

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

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

Rates of E1, E2, M1, and M2 transitions in Ni II

Science.gov (United States)

Cassidy, C. M.; Hibbert, A.; Ramsbottom, C. A.

2016-03-01

Aims: We present rates for all E1, E2, M1, and M2 transitions among the 295 fine-structure levels of the configurations 3d9, 3d84s, 3d74s2, 3d84p, and 3d74s4p, determined through an extensive configuration interaction calculation. Methods: The CIV3 code developed by Hibbert and coworkers is used to determine for these levels configuration interaction wave functions with relativistic effects introduced through the Breit-Pauli approximation. Results: Two different sets of calculations have been undertaken with different 3d and 4d functions to ascertain the effect of such variation. The main body of the text includes a representative selection of data, chosen so that key points can be discussed. Some analysis to assess the accuracy of the present data has been undertaken, including comparison with earlier calculations and the more limited range of experimental determinations. The full set of transition data is given in the supplementary material as it is very extensive. Conclusions: We believe that the present transition data are the best currently available. Full Table 4 and Tables 5-8 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/587/A107

Determination of band offsets at GaN/single-layer MoS2 heterojunction

KAUST Repository

Tangi, Malleswararao

2016-07-25

We report the band alignment parameters of the GaN/single-layer (SL) MoS2 heterostructure where the GaN thin layer is grown by molecular beam epitaxy on CVD deposited SL-MoS2/c-sapphire. We confirm that the MoS2 is an SL by measuring the separation and position of room temperature micro-Raman E1 2g and A1 g modes, absorbance, and micro-photoluminescence bandgap studies. This is in good agreement with HRTEM cross-sectional analysis. The determination of band offset parameters at the GaN/SL-MoS2 heterojunction is carried out by high-resolution X-ray photoelectron spectroscopy accompanying with electronic bandgap values of SL-MoS2 and GaN. The valence band and conduction band offset values are, respectively, measured to be 1.86 ± 0.08 and 0.56 ± 0.1 eV with type II band alignment. The determination of these unprecedented band offset parameters opens up a way to integrate 3D group III nitride materials with 2D transition metal dichalcogenide layers for designing and modeling of their heterojunction based electronic and photonic devices.

Determination of band offsets at GaN/single-layer MoS2 heterojunction

KAUST Repository

Tangi, Malleswararao; Mishra, Pawan; Ng, Tien Khee; Hedhili, Mohamed N.; Janjua, Bilal; Alias, Mohd Sharizal; Anjum, Dalaver H.; Tseng, Chien-Chih; Shi, Yumeng; Joyce, Hannah J.; Li, Lain-Jong; Ooi, Boon S.

2016-01-01

We report the band alignment parameters of the GaN/single-layer (SL) MoS2 heterostructure where the GaN thin layer is grown by molecular beam epitaxy on CVD deposited SL-MoS2/c-sapphire. We confirm that the MoS2 is an SL by measuring the separation and position of room temperature micro-Raman E1 2g and A1 g modes, absorbance, and micro-photoluminescence bandgap studies. This is in good agreement with HRTEM cross-sectional analysis. The determination of band offset parameters at the GaN/SL-MoS2 heterojunction is carried out by high-resolution X-ray photoelectron spectroscopy accompanying with electronic bandgap values of SL-MoS2 and GaN. The valence band and conduction band offset values are, respectively, measured to be 1.86 ± 0.08 and 0.56 ± 0.1 eV with type II band alignment. The determination of these unprecedented band offset parameters opens up a way to integrate 3D group III nitride materials with 2D transition metal dichalcogenide layers for designing and modeling of their heterojunction based electronic and photonic devices.

Band mixing effects in mean field theories

International Nuclear Information System (INIS)

Kuyucak, S.; Morrison, I.

1989-01-01

The 1/N expansion method, which is an angular momentum projected mean field theory, is used to investigate the nature of electromagnetic transitions in the interacting boson model (IBM). Conversely, comparison with the exact IBM results sheds light on the range of validity of the mean field theory. It is shown that the projected mean field results for the E2 transitions among the ground, β and γ bands are incomplete for the spin dependent terms and it is essential to include band mixing effect for a correct (Mikhailov) analysis of E2 data. The algebraic expressions derived are general and will be useful in the analysis of experimental data in terms of both the sd and sdg boson models. 17 refs., 7 figs., 8 tabs

E2 and M1 Transition Probabilities in Odd Mass Hg Nuclei

Energy Technology Data Exchange (ETDEWEB)

Berg, V; Baecklin, A; Fogelberg, B; Malmskog, S G

1969-10-15

L- and M-subshell ratios have been measured for the 39.5 keV transition in {sup 193}Hg and the 37.1 and 16.2 keV transitions in {sup 195}Hg yielding 0.38 {+-} 0.12 , <0.02 and 0.08 {+-} 0.03 per cent E2, respectively. The half-lives of the 39.5 keV level in {sup 193}Hg and the 53.3 and 37.1 keV levels in {sup 195}Hg have been measured by the delayed coincidence method, yielding values of 0.63 {+-} 0.03, 0.72 {+-} 0.03 and <0.05 nsec respectively. A systematic compilation of reduced E2 and M1 transition probabilities in odd mass Pt, Hg and Pb nuclei is given and compared to theoretical predictions.

Optical band gap demarcation around 2.15 eV depending on preferred orientation growth in red HgI{sub 2} films

Energy Technology Data Exchange (ETDEWEB)

Tyagi, Pankaj, E-mail: pankajtyagicicdu@gmail.com

2017-04-01

Thermally evaporated stoichiometric films of red HgI{sub 2} show preferred orientation growth with either (102) or (002) orientation. The as grown films shows a change from one preferred orientation to another depending on their thickness, open-air heat-treatment and in-situ heat treatment of films. The in-situ heat-treatment of thermally evaporated stoichiometric films of red HgI{sub 2} with preferred growth of (102) orientation shows a gradual linear decrease in film thickness with in-situ heat-treatment temperature. On in-situ heat-treatment above 80 °C, it is found that HgI{sub 2} films become thinner than 900 nm, which are otherwise difficult to grow due to high vapor pressure of HgI{sub 2}. For these films the preferred orientation also changed from (102) to (002). The optical band gap (E{sub g}) also found to increase linearly with in-situ heat-treatment temperature. It is interesting to note that in-situ heat-treated films having (002) orientation had higher values of optical band gap than (102) orientation films. On combining these results with those of as grown and open-air heat-treated red HgI{sub 2} films reported in the literature, it is evident that there exists an optical band gap demarcation around 2.15 eV for red HgI{sub 2} thin films depending on their preferred orientation growth. Films with (102) orientation are found to have optical band gap less than 2.15 eV and those with (002) orientation are found to have optical band gap more than 2.15 eV. This is irrespective of the physical mean of obtaining the preferred orientation. The preferred orientation can be achieved by either physical means such as growing films with higher thickness, heat-treating them for short duration in open air or heat-treating them in-situ.

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.)

Ab initio computation of the transition temperature of the charge density wave transition in TiS e2

Science.gov (United States)

Duong, Dinh Loc; Burghard, Marko; Schön, J. Christian

2015-12-01

We present a density functional perturbation theory approach to estimate the transition temperature of the charge density wave transition of TiS e2 . The softening of the phonon mode at the L point where in TiS e2 a giant Kohn anomaly occurs, and the energy difference between the normal and distorted phase are analyzed. Both features are studied as functions of the electronic temperature, which corresponds to the Fermi-Dirac distribution smearing value in the calculation. The transition temperature is found to be 500 and 600 K by phonon and energy analysis, respectively, in reasonable agreement with the experimental value of 200 K.

On a possible origin of the 2.87 eV optical transition in GaNP

International Nuclear Information System (INIS)

Buyanova, I A; Izadifard, M; Chen, W M; Xin, H P; Tu, C W

2006-01-01

Temperature dependent photoluminescence excitation spectroscopy is employed to evaluate basic physical properties of the 2.87 eV absorption peak, recently discovered for the GaN x P 1-x alloys. Whereas the appearance of this transition is found to be facilitated by incorporation of N and also H atoms, its intensity does not scale with the N content in the alloys. This questions the possible association of this feature with an N-related localized state. On the basis of the results of temperature dependent measurements, it is concluded that the state involved has a non-Γ character. Excitation of the known N-related localized states via this state is found to be non-selective, unlike that between the N-related centres. The observed properties are shown to be barely consistent with those predicted for the higher lying localized state of the isolated N atom derived from the Γ conduction band minimum (CBM). Alternative explanations for the '2.87 eV' state as being due to either a t 2 component of the X 3 c (or L 1 c ) CBM or a level arising from a complex of N and H (in some form) are also discussed

Multi-band, multi-epoch observations of the transiting warm Jupiter WASP-80b

Energy Technology Data Exchange (ETDEWEB)

Fukui, Akihiko; Kuroda, Daisuke [Okayama Astrophysical Observatory, National Astronomical Observatory of Japan, Asakuchi, Okayama 719-0232 (Japan); Kawashima, Yui; Ikoma, Masahiro; Kurosaki, Kenji [Department of Earth and Planetary Science, Graduate School of Science, The University of Tokyo, 7-3-1 Bunkyo-ku, Tokyo 113-0033 (Japan); Narita, Norio; Nishiyama, Shogo; Takahashi, Yasuhiro H.; Nagayama, Shogo [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Onitsuka, Masahiro; Baba, Haruka; Ryu, Tsuguru [The Graduate University for Advanced Studies, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Ita, Yoshifusa; Onozato, Hiroki [Astronomical Institute, Graduate School of Science, Tohoku University, 6-3 Aramaki Aoba, Aoba-ku, Sendai, Miyagi 980-8578 (Japan); Hirano, Teruyuki; Kawauchi, Kiyoe [Department of Earth and Planetary Sciences, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo 152-8551 (Japan); Hori, Yasunori [Department of Astronomy and Astrophysics, University of California, Santa Cruz, CA 95064 (United States); Nagayama, Takahiro [Department of Physics, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8602 (Japan); Tamura, Motohide [Department of Astronomy, Graduate School of Science, The University of Tokyo, and National Astronomical Observatory of Japan (Japan); Kawai, Nobuyuki, E-mail: afukui@oao.nao.ac.jp [Department of Physics, Tokyo Institute of Technology, 2-12-1, Oookayama, Meguro, Tokyo 152-8551 (Japan); and others

2014-08-01

WASP-80b is a warm Jupiter transiting a bright late-K/early-M dwarf, providing a good opportunity to extend the atmospheric study of hot Jupiters toward the lower temperature regime. We report multi-band, multi-epoch transit observations of WASP-80b by using three ground-based telescopes covering from optical (g', R{sub c}, and I{sub c} bands) to near-infrared (NIR; J, H, and K{sub s} bands) wavelengths. We observe 5 primary transits, each in 3 or 4 different bands simultaneously, obtaining 17 independent transit light curves. Combining them with results from previous works, we find that the observed transmission spectrum is largely consistent with both a solar abundance and thick cloud atmospheric models at a 1.7σ discrepancy level. On the other hand, we find a marginal spectral rise in the optical region compared to the NIR region at the 2.9σ level, which possibly indicates the existence of haze in the atmosphere. We simulate theoretical transmission spectra for a solar abundance but hazy atmosphere, finding that a model with equilibrium temperature of 600 K can explain the observed data well, having a discrepancy level of 1.0σ. We also search for transit timing variations, but find no timing excess larger than 50 s from a linear ephemeris. In addition, we conduct 43 day long photometric monitoring of the host star in the optical bands, finding no significant variation in the stellar brightness. Combined with the fact that no spot-crossing event is observed in the five transits, our results confirm previous findings that the host star appears quiet for spot activities, despite the indications of strong chromospheric activities.

Controllable Synthesis of Band Gap-Tunable and Monolayer Transition Metal Dichalcogenide Alloys

Directory of Open Access Journals (Sweden)

Sheng-Han eSu

2014-07-01

Full Text Available The electronic and optical properties of transition metal dichalcogenide (TMD materials are directly governed by their energy gap; thus, the band gap engineering has become an important topic recently. Theoretical and some experimental results have indicated that these monolayer TMD alloys exhibit direct-gap properties and remain stable at room temperature, making them attractive for optoelectronic applications. Here we systematically compared the two approaches of forming MoS2xSe2(1-x monolayer alloys: selenization of MoS2 and sulfurization of MoSe2. The optical energy gap of as-grown CVD MoS2 can be continuously modulated from 1.86 eV (667 nm to 1.57 eV (790 nm controllable by the reaction temperature. Spectroscopic and microscopic evidences show that the Mo-S bonds can be replaced by the Mo-Se bonds in a random and homogeneous manner. By contrast, the replacement of Mo-Se by Mo-S does not randomly occur in the MoSe2 lattice, where the reaction preferentially occurs along the crystalline orientation of MoSe2 and thus the MoSe2/MoS2 biphases are easily observed in the alloys, which makes the optical band gap of these alloys distinctly different. Therefore, the selenization of metal disulfide is preferred and the proposed synthetic strategy opens up a simple route to control the atomic structure as well as optical properties of monolayer TMD alloys.

Excited bands in even-even rare-earth nuclei

International Nuclear Information System (INIS)

Vargas, Carlos E.; Hirsch, Jorge G.

2004-01-01

The energetics of states belonging to normal parity bands in even-even dysprosium isotopes, and their B(E2) transition strengths, are studied using an extended pseudo-SU(3) shell model. States with pseudospin 1 are added to the standard pseudospin 0 space, allowing for a proper description of known excited normal parity bands

Transition metal atoms absorbed on MoS2/h-BN heterostructure: stable geometries, band structures and magnetic properties.

Science.gov (United States)

Wu, Yanbing; Huang, Zongyu; Liu, Huating; He, Chaoyu; Xue, Lin; Qi, Xiang; Zhong, Jianxin

2018-06-15

We have studied the stable geometries, band structures and magnetic properties of transition-metal (V, Cr, Mn, Fe, Co and Ni) atoms absorbed on MoS2/h-BN heterostructure systems by first-principles calculations. By comparing the adsorption energies, we find that the adsorbed transition metal (TM) atoms prefer to stay on the top of Mo atoms. The results of the band structure without spin-orbit coupling (SOC) interaction indicate that the Cr-absorbed systems behave in a similar manner to metals, and the Co-absorbed system exhibits a half-metallic state. We also deduce that the V-, Mn-, Fe-absorbed systems are semiconductors with 100% spin polarization at the HOMO level. The Ni-absorbed system is a nonmagnetic semiconductor. In contrast, the Co-absorbed system exhibits metallic state, and the bandgap of V-absorbed system decreases slightly according to the SOC calculations. In addition, the magnetic moments of all the six TM atoms absorbed on the MoS2/h-BN heterostructure systems decrease when compared with those of their free-standing states.

M1 and E2 transitions in the ground-state configuration of atomic ...

Indian Academy of Sciences (India)

have calculated the forbidden transition (M1 and E2) parameters such as transition energies, log- arithmic weighted ... Keywords. Forbidden transitions; transition energies; logarithmic weighted oscillator strengths; .... optimizing the energy function based on the non-relativistic Hamiltonian of an atom,. HNR = N. ∑ j=1. (12∇ ...

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.

ΔI = 2 Nuclear Staggering in Superdeformed Rotational Bands

Directory of Open Access Journals (Sweden)

Okasha M. D.

2014-01-01

Full Text Available A four parameters model including collective rotational en ergies to fourth order is ap- plied to reproduce the ∆ I = 2 staggering in transition energies in four selected super deformed rotational bands, namely, 148 Gd (SD6, 194 Hg (SD1, SD2, SD3. The model parameters and the spin of the bandhead have been extracted a ssuming various val- ues to the lowest spin of the bandhead at nearest integer, in o rder to obtain a minimum root mean square deviation between calculated and the exper imental transition energies. This allows us to suggest the spin values for the energy level s which are experimentally unknown. For each band a staggering parameter represent the deviation of the transition energies from a smooth reference has been determined by calc ulating the fourth order derivative of the transition energies at a given spin. The st aggering parameter contains five consecutive transition energies which is denoted here a s the five-point formula. In order to get information about the dynamical moment of ine rtia, the two point for- mula which contains only two consecutive transition energi es has been also considered. The dynamical moment of inertia decreasing with increasing rotational frequency for A ∼ 150, while increasing for A ∼ 190 mass regions.

M1 transitions between superdeformed states in 195Tl

International Nuclear Information System (INIS)

Zheng Xing; Xingqu Chen; Xiaochun Wang

1996-01-01

Using a triaxial-particle-rotor model, the quadrupole and dipole transition energies, kinematic and dynamic moments of inertia, electromagnetic transition probabilities and the relative intensity of the E2 γ-transitions are calculated for superdeformed bands in 195 Tl. A strong perturbation effect of rotation on transition energies and M1 and E2 transitions of superdeformed states is investigated. The total M1 transitions, enhanced by internal conversion, are expected to compete strongly with the E2 γ-ray at low spins in the superdeformed 195 Tl nucleus. (author)

Electronic band structure and charge density wave transition in quasi-2D KMo{sub 6}O{sub 17} purple bronze

Energy Technology Data Exchange (ETDEWEB)

Valbuena, M A [Instituto de Ciencia de Materiales de Madrid, CSIC, 28049 Madrid (Spain); Avila, J; Asensio, M C [Synchrotron SOLEIL, L' Orme des Merisiers, Saint-Aubin, B.P. 48, 91192 Gif-sur-Yvette Cedex (France); Vyalikh, D V; Laubschat, C; Molodtsov, S L [Institut fuer Festkoerperphysik, Technische Universitaet Dresden, D-01062 Dresden (Germany); Guyot, H [LEPES, CNRS, BP 166, 38042 Grenoble Cedex 9 (France)], E-mail: mvbuena@icmm.csic.es

2008-03-15

High resolution angle-resolved photoemission of quasi-2D KMo{sub 6}O{sub 17} purple bronze has been performed in the range from room temperature to 130 K, slightly above the charge density wave (CDW) transition (T{sub c} = 110 K), and down to 35 K (well below T{sub c}). In this paper we report a detailed study of how electronic band structure is affected by this transition driven by the hidden nesting scenario. The expected spectroscopic fingerprints of the CDW phase transition have been found and discussed according to the hidden one dimension and the development of a quasi-commensurate CDW. The excellent agreement between theory and our experimental results makes of potassium purple bronze a reference system for studying this type of instabilities.

Band Structure Engineering of Cs2AgBiBr6 Perovskite through Order-Disordered Transition: A First-Principle Study.

Science.gov (United States)

Yang, Jingxiu; Zhang, Peng; Wei, Su-Huai

2018-01-04

Cs 2 AgBiBr 6 was proposed as one of the inorganic, stable, and nontoxic replacements of the methylammonium lead halides (CH 3 NH 3 PbI 3 , which is currently considered as one of the most promising light-harvesting material for solar cells). However, the wide indirect band gap of Cs 2 AgBiBr 6 suggests that its application in photovoltaics is limited. Using the first-principle calculation, we show that by controlling the ordering parameter at the mixed sublattice, the band gap of Cs 2 AgBiBr 6 can vary continuously from a wide indirect band gap of 1.93 eV for the fully ordered double-perovskite structure to a small pseudodirect band gap of 0.44 eV for the fully random alloy. Therefore, one can achieve better light absorption simply by controlling the growth temperature and thus the ordering parameters and band gaps. We also show that controlled doping in Cs 2 AgBiBr 6 can change the energy difference between ordered and disordered Cs 2 AgBiBr 6 , thus providing further control of the ordering parameters and the band gaps. Our study, therefore, provides a novel approach to carry out band structure engineering in the mixed perovskites for optoelectronic applications.

Complex band structures of transition metal dichalcogenide monolayers with spin–orbit coupling effects

International Nuclear Information System (INIS)

Szczęśniak, Dominik; Ennaoui, Ahmed; Ahzi, Saïd

2016-01-01

Recently, the transition metal dichalcogenides have attracted renewed attention due to the potential use of their low-dimensional forms in both nano- and opto-electronics. In such applications, the electronic and transport properties of monolayer transition metal dichalcogenides play a pivotal role. The present paper provides a new insight into these essential properties by studying the complex band structures of popular transition metal dichalcogenide monolayers (MX 2 , where M   =  Mo, W; X   =  S, Se, Te) while including spin–orbit coupling effects. The conducted symmetry-based tight-binding calculations show that the analytical continuation from the real band structures to the complex momentum space leads to nonlinear generalized eigenvalue problems. Herein an efficient method for solving such a class of nonlinear problems is presented and yields a complete set of physically relevant eigenvalues. Solutions obtained by this method are characterized and classified into propagating and evanescent states, where the latter states manifest not only monotonic but also oscillatory decay character. It is observed that some of the oscillatory evanescent states create characteristic complex loops at the direct band gap of MX 2 monolayers, where electrons can directly tunnel between the band gap edges. To describe these tunneling currents, decay behavior of electronic states in the forbidden energy region is elucidated and their importance within the ballistic transport regime is briefly discussed. (paper)

Complex band structures of transition metal dichalcogenide monolayers with spin-orbit coupling effects

Science.gov (United States)

Szczęśniak, Dominik; Ennaoui, Ahmed; Ahzi, Saïd

2016-09-01

Recently, the transition metal dichalcogenides have attracted renewed attention due to the potential use of their low-dimensional forms in both nano- and opto-electronics. In such applications, the electronic and transport properties of monolayer transition metal dichalcogenides play a pivotal role. The present paper provides a new insight into these essential properties by studying the complex band structures of popular transition metal dichalcogenide monolayers (MX 2, where M  =  Mo, W; X  =  S, Se, Te) while including spin-orbit coupling effects. The conducted symmetry-based tight-binding calculations show that the analytical continuation from the real band structures to the complex momentum space leads to nonlinear generalized eigenvalue problems. Herein an efficient method for solving such a class of nonlinear problems is presented and yields a complete set of physically relevant eigenvalues. Solutions obtained by this method are characterized and classified into propagating and evanescent states, where the latter states manifest not only monotonic but also oscillatory decay character. It is observed that some of the oscillatory evanescent states create characteristic complex loops at the direct band gap of MX 2 monolayers, where electrons can directly tunnel between the band gap edges. To describe these tunneling currents, decay behavior of electronic states in the forbidden energy region is elucidated and their importance within the ballistic transport regime is briefly discussed.

2D to 3D transition of polymeric carbon nitride nanosheets

Energy Technology Data Exchange (ETDEWEB)

Chamorro-Posada, Pedro [Dpto. de Teoría de la Señal y Comunicaciones e IT, Universidad de Valladolid, ETSI Telecomunicación, Paseo Belén 15, 47011 Valladolid (Spain); Vázquez-Cabo, José [Dpto. de Teoría de la Señal y Comunicaciones, Universidad de Vigo, ETSI Telecomunicación, Lagoas Marcosende s/n, Vigo (Spain); Sánchez-Arévalo, Francisco M. [Instituto de Investigaciones en Materiales (IIM), Universidad Nacional Autónoma de México, Apdo. Postal 70–360, Cd. Universitaria, México D.F. 04510 (Mexico); Martín-Ramos, Pablo [Dpto. de Teoría de la Señal y Comunicaciones e IT, Universidad de Valladolid, ETSI Telecomunicación, Paseo Belén 15, 47011 Valladolid (Spain); Laboratorio de Materiales Avanzados (Advanced Materials Laboratory) ETSIIAA, Universidad de Valladolid, Avenida de Madrid 44, 34004 Palencia (Spain); Martín-Gil, Jesús; Navas-Gracia, Luis M. [Laboratorio de Materiales Avanzados (Advanced Materials Laboratory) ETSIIAA, Universidad de Valladolid, Avenida de Madrid 44, 34004 Palencia (Spain); Dante, Roberto C., E-mail: rcdante@yahoo.com [Laboratorio de Materiales Avanzados (Advanced Materials Laboratory) ETSIIAA, Universidad de Valladolid, Avenida de Madrid 44, 34004 Palencia (Spain)

2014-11-15

The transition from a prevalent turbostratic arrangement with low planar interactions (2D) to an array of polymeric carbon nitride nanosheets with stronger interplanar interactions (3D), occurring for samples treated above 650 °C, was detected by terahertz-time domain spectroscopy (THz-TDS). The simulated 3D material made of stacks of shifted quasi planar sheets composed of zigzagged polymer ribbons, delivered a XRD simulated pattern in relatively good agreement with the experimental one. The 2D to 3D transition was also supported by the simulation of THz-TDS spectra obtained from quantum chemistry calculations, in which the same broad bands around 2 THz and 1.5 THz were found for 2D and 3D arrays, respectively. This transition was also in accordance with the tightening of the interplanar distance probably due to an interplanar π bond contribution, as evidenced also by a broad absorption around 2.6 eV in the UV–vis spectrum, which appeared in the sample treated at 650 °C, and increased in the sample treated at 700 °C. The band gap was calculated for 1D and 2D cases. The value of 3.374 eV for the 2D case is, within the model accuracy and precision, in a relative good agreement with the value of 3.055 eV obtained from the experimental results. - Graphical abstract: 2D lattice mode vibrations and structural changes correlated with the so called “2D to 3D transition”. - Highlights: • A 2D to 3D transition has been detected for polymeric carbon nitride. • THz-TDS allowed us to discover and detect the 2D to 3D transition of polymeric carbon nitride. • We propose a structure for polymeric carbon nitride confirming it with THz-TDS.

2D to 3D transition of polymeric carbon nitride nanosheets

International Nuclear Information System (INIS)

Chamorro-Posada, Pedro; Vázquez-Cabo, José; Sánchez-Arévalo, Francisco M.; Martín-Ramos, Pablo; Martín-Gil, Jesús; Navas-Gracia, Luis M.; Dante, Roberto C.

2014-01-01

The transition from a prevalent turbostratic arrangement with low planar interactions (2D) to an array of polymeric carbon nitride nanosheets with stronger interplanar interactions (3D), occurring for samples treated above 650 °C, was detected by terahertz-time domain spectroscopy (THz-TDS). The simulated 3D material made of stacks of shifted quasi planar sheets composed of zigzagged polymer ribbons, delivered a XRD simulated pattern in relatively good agreement with the experimental one. The 2D to 3D transition was also supported by the simulation of THz-TDS spectra obtained from quantum chemistry calculations, in which the same broad bands around 2 THz and 1.5 THz were found for 2D and 3D arrays, respectively. This transition was also in accordance with the tightening of the interplanar distance probably due to an interplanar π bond contribution, as evidenced also by a broad absorption around 2.6 eV in the UV–vis spectrum, which appeared in the sample treated at 650 °C, and increased in the sample treated at 700 °C. The band gap was calculated for 1D and 2D cases. The value of 3.374 eV for the 2D case is, within the model accuracy and precision, in a relative good agreement with the value of 3.055 eV obtained from the experimental results. - Graphical abstract: 2D lattice mode vibrations and structural changes correlated with the so called “2D to 3D transition”. - Highlights: • A 2D to 3D transition has been detected for polymeric carbon nitride. • THz-TDS allowed us to discover and detect the 2D to 3D transition of polymeric carbon nitride. • We propose a structure for polymeric carbon nitride confirming it with THz-TDS

Determination of band offsets at GaN/single-layer MoS{sub 2} heterojunction

Energy Technology Data Exchange (ETDEWEB)

Tangi, Malleswararao; Mishra, Pawan; Ng, Tien Khee; Janjua, Bilal; Alias, Mohd Sharizal; Ooi, Boon S., E-mail: boon.ooi@kaust.edu.sa [Photonics Laboratory, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Hedhili, Mohamed Nejib; Anjum, Dalaver H. [Adavanced Nanofabrication Imaging and Characterization, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Tseng, Chien-Chih; Shi, Yumeng; Li, Lain-Jong [Physical Sciences and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Joyce, Hannah J. [Department of Engineering, University of Cambridge, 9 JJ Thomson Avenue, Cambridge, Cambridgeshire CB3 0FA (United Kingdom)

2016-07-18

We report the band alignment parameters of the GaN/single-layer (SL) MoS{sub 2} heterostructure where the GaN thin layer is grown by molecular beam epitaxy on CVD deposited SL-MoS{sub 2}/c-sapphire. We confirm that the MoS{sub 2} is an SL by measuring the separation and position of room temperature micro-Raman E{sup 1}{sub 2g} and A{sup 1}{sub g} modes, absorbance, and micro-photoluminescence bandgap studies. This is in good agreement with HRTEM cross-sectional analysis. The determination of band offset parameters at the GaN/SL-MoS{sub 2} heterojunction is carried out by high-resolution X-ray photoelectron spectroscopy accompanying with electronic bandgap values of SL-MoS{sub 2} and GaN. The valence band and conduction band offset values are, respectively, measured to be 1.86 ± 0.08 and 0.56 ± 0.1 eV with type II band alignment. The determination of these unprecedented band offset parameters opens up a way to integrate 3D group III nitride materials with 2D transition metal dichalcogenide layers for designing and modeling of their heterojunction based electronic and photonic devices.

Amplifier Module for 260-GHz Band Using Quartz Waveguide Transitions

Science.gov (United States)

Padmanabhan, Sharmila; Fung, King Man; Kangaslahti, Pekka P.; Peralta, Alejandro; Soria, Mary M.; Pukala, David M.; Sin, Seth; Samoska, Lorene A.; Sarkozy, Stephen; Lai, Richard

2012-01-01

Packaging of MMIC LNA (monolithic microwave integrated circuit low-noise amplifier) chips at frequencies over 200 GHz has always been problematic due to the high loss in the transition between the MMIC chip and the waveguide medium in which the chip will typically be used. In addition, above 200 GHz, wire-bond inductance between the LNA and the waveguide can severely limit the RF matching and bandwidth of the final waveguide amplifier module. This work resulted in the development of a low-loss quartz waveguide transition that includes a capacitive transmission line between the MMIC and the waveguide probe element. This capacitive transmission line tunes out the wirebond inductance (where the wire-bond is required to bond between the MMIC and the probe element). This inductance can severely limit the RF matching and bandwidth of the final waveguide amplifier module. The amplifier module consists of a quartz E-plane waveguide probe transition, a short capacitive tuning element, a short wire-bond to the MMIC, and the MMIC LNA. The output structure is similar, with a short wire-bond at the output of the MMIC, a quartz E-plane waveguide probe transition, and the output waveguide. The quartz probe element is made of 3-mil quartz, which is the thinnest commercially available material. The waveguide band used is WR4, from 170 to 260 GHz. This new transition and block design is an improvement over prior art because it provides for better RF matching, and will likely yield lower loss and better noise figure. The development of high-performance, low-noise amplifiers in the 180-to- 700-GHz range has applications for future earth science and planetary instruments with low power and volume, and astrophysics array instruments for molecular spectroscopy. This frequency band, while suitable for homeland security and commercial applications (such as millimeter-wave imaging, hidden weapons detection, crowd scanning, airport security, and communications), also has applications to

Full Ka Band Waveguide-to-Microstrip Inline Transition Design

Science.gov (United States)

Li, Jianxing; Li, Lei; Qiao, Yu; Chen, Juan; Chen, Jianzhong; Zhang, Anxue

2018-05-01

In this paper, a compact and broadband inline waveguide-to-microstrip transition is proposed to cover the full Ka band. The transition can be segmented from the electric point of view into three building blocks, comprising a microstrip line to rectangular coaxial line, a wedged rectangular coaxial line to ridged waveguide, and a final tapered ridged waveguide impedance transformer to standard waveguide. Both good electrical performance and simple modular assembly without any soldering have been simultaneously obtained. The validation of the design concept has been conducted by numerical simulations and experimental measurements. The experimental results of a fabricated back-to-back transition prototype coincide with the simulated results. It shows that the proposed transition achieves good return loss of lower than 15.5 dB and low insertion loss with a fluctuation between 0.23 to 0.60 dB across the entire Ka band. Details of design considerations and operation mechanism as well as simulation and measurement results are presented.

Band gap engineering of MoS{sub 2} upon compression

Energy Technology Data Exchange (ETDEWEB)

López-Suárez, Miquel, E-mail: miquel.lopez@nipslab.org [NiPS Laboratory, Dipartimento di Fisica e Geologia, Università degli Studi di Perugia, 06123 Perugia (Italy); Neri, Igor [NiPS Laboratory, Dipartimento di Fisica e Geologia, Università degli Studi di Perugia, 06123 Perugia (Italy); INFN Sezione di Perugia, via Pascoli, 06123 Perugia (Italy); Rurali, Riccardo [Institut de Ciència de Materials de Barcelona (ICMAB–CSIC) Campus de Bellaterra, 08193 Bellaterra, Barcelona (Spain)

2016-04-28

Molybdenum disulfide (MoS{sub 2}) is a promising candidate for 2D nanoelectronic devices, which shows a direct band-gap for monolayer structure. In this work we study the electronic structure of MoS{sub 2} upon both compressive and tensile strains with first-principles density-functional calculations for different number of layers. The results show that the band-gap can be engineered for experimentally attainable strains (i.e., ±0.15). However, compressive strain can result in bucking that can prevent the use of large compressive strain. We then studied the stability of the compression, calculating the critical strain that results in the on-set of buckling for free-standing nanoribbons of different lengths. The results demonstrate that short structures, or few-layer MoS{sub 2}, show semi-conductor to metal transition upon compressive strain without bucking.

First high resolution analysis of the 3ν2 and 3ν2 -ν2 bands of 32S16O2

Science.gov (United States)

Ulenikov, O. N.; Bekhtereva, E. S.; Gromova, O. V.; Berezkin, K. B.; Horneman, V.-M.; Sydow, C.; Maul, C.; Bauerecker, S.

2017-11-01

The second bending overtone band 3ν2 of sulfur dioxide has been studied for the first time with high resolution rotation-vibration spectroscopy. The 1530 transitions involving 728 upper state energy levels with Jmax.= 53 and Kamax . = 15 have been assigned to the 3ν2 band. The 746 transitions belonging to the 3ν2 -ν2 "hot" band have been also assigned in the region of 950-1100 cm-1. For the analysis of the assigned transitions, an effective Hamiltonian of an isolated (030) vibrational state (the Watson operator in A-reduction and Ir representation) was used. Set of 9 varied parameters was determined which reproduce the initial experimental data with the drms deviations of 9.0 ×10-4 cm-1 and 9.8 ×10-4 cm-1 for the 3ν2 and 3ν2 -ν2 bands, which are comparable with the experimental uncertainties.

Band engineering in transition metal dichalcogenides: Stacked versus lateral heterostructures

International Nuclear Information System (INIS)

Guo, Yuzheng; Robertson, John

2016-01-01

We calculate a large difference in the band alignments for transition metal dichalcogenide (TMD) heterojunctions when arranged in the stacked layer or lateral (in-plane) geometries, using direct supercell calculations. The stacked case follows the unpinned limit of the electron affinity rule, whereas the lateral geometry follows the strongly pinned limit of alignment of charge neutrality levels. TMDs therefore provide one of the few clear tests of band alignment models, whereas three-dimensional semiconductors give less stringent tests because of accidental chemical trends in their properties.

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

Science.gov (United States)

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

2015-10-28

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

Band gap of corundumlike α -Ga2O3 determined by absorption and ellipsometry

Science.gov (United States)

Segura, A.; Artús, L.; Cuscó, R.; Goldhahn, R.; Feneberg, M.

2017-07-01

The electronic structure near the band gap of the corundumlike α phase of Ga2O3 has been investigated by means of optical absorption and spectroscopic ellipsometry measurements in the ultraviolet (UV) range (400-190 nm). The absorption coefficient in the UV region and the imaginary part of the dielectric function exhibit two prominent absorption thresholds with wide but well-defined structures at 5.6 and 6.3 eV which have been ascribed to allowed direct transitions from crystal-field split valence bands to the conduction band. Excitonic effects with large Gaussian broadening are taken into account through the Elliott-Toyozawa model, which yields an exciton binding energy of 110 meV and direct band gaps of 5.61 and 6.44 eV. The large broadening of the absorption onset is related to the slightly indirect character of the material.

The 2s2p 4P0sub(5/2) - 2p24Psup(e)sub(5/2)-transition in O VI

International Nuclear Information System (INIS)

Sjoedin, R.; Pihl, J.; Hallin, R.; Lindskog, J.; Marelius, A.

1976-03-01

The Li-like doubly excited transitions 2s2p 4 P 0 sub(5/2) - 2p 2 4 Psup(e)sub(5/2) in O VI has been studied with the beam-foil technique. Oxygen ion beams with energies between 4.5 to 9 MeV were used. The wavelength of the transition was measured to 944.0+-0.5 A and the lifetime for the upper level 2p 2 4 Psup(e) was measured to be 0.51+-0.04 ns. (Auth.)

Ab-initio vibrational properties of transition metal chalcopyrite alloys determined as high-efficiency intermediate-band photovoltaic materials

International Nuclear Information System (INIS)

Palacios, P.; Aguilera, I.; Wahnon, P.

2008-01-01

In this work, we present frozen phonon and linear response ab-initio research into the vibrational properties of the CuGaS 2 chalcopyrite and transition metal substituted (CuGaS 2 )M alloys. These systems are potential candidates for developing a novel solar-cell material with enhanced optoelectronic properties based in the implementation of the intermediate-band concept. We have previously carried out ab-initio calculations of the electronic properties of these kinds of chalcopyrite metal alloys showing a narrow transition metal band isolated in the semiconductor band gap. The substitutes used in the present work are the 3d metal elements, Titanium and Chromium. For the theoretical calculations we use standard density functional theory at local density and generalized gradient approximation levels. We found that the optical phonon branches of the transition metal chalcopyrite, are very sensitive to the specific bonding geometry and small changes in the transition metal environment

Spontaneous transition rates for electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2) and magnetic quadrupole (M2) transitions for He-like calcium and sulfur ions

International Nuclear Information System (INIS)

Kingston, A.E.; Norrington, P.H.; Boone, A.W.

2002-01-01

The spontaneous decay rates for the electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1) and magnetic quadrupole (M2) transitions between all of the 1s 2 , 1s2 l and 1s3 l states have been obtained for helium-like calcium and sulfur ions. To assess the accuracy of the calculations, the transition probabilities were calculated using two sets of configuration interaction wavefunctions. One set of wavefunctions was generated using the fully relativistic GRASP code and the other was obtained using CIV3, in which relativistic effects are introduced using the Breit-Pauli approximation. The transition rates, A values, oscillator strengths and line strengths from our two calculations are found to be similar and to compare very well with other recent results for Δn=1 or 2 transitions. For Δn=0 transitions the agreement is much less good; this is mainly due to differences in the calculated excitation energies. (author)

E2 transition probabilities between Nilsson states in odd-A nuclei

International Nuclear Information System (INIS)

Krpic, D.K.; Savic, I.M.; Anicin, I.V.

1976-01-01

Presented here are the matrices needed for the calculation of E2 transition probabilities between all pairs of Nilsson states with ΔN = 0 and ΔK = 0, 1, 2. The needed coefficients of states are tabulated by Nilsson and by Davidson

The collective bands of positive parity states in odd-A (fp) shell nuclei

International Nuclear Information System (INIS)

Ahalpara, D.P.

1979-01-01

The low-lying collective bands of positive parity states in (fp) shell nuclei are described in the deformed Hartree-Fock method by projecting states of definite angular momenta from 'the lowest energy intrinsic states in (sd)sup(-1)(fp)sup(n+1) configurations. The modified Kuo-Brown effective interaction for (fp) shell and modified surface delta interaction (MSDI) for a hole in (sd) shell with a particle in (fp) shell have been used. The collective bands of states are in general well reproduced by the effective interactions. The excitation energies of the band head states are however off by about one MeV. The calculated magnetic moments of the band head j = 3/2 + states are in reasonable agreement with experiment. Using effective charges esub(p) = 1.33 e and esub(n) = 0.64 e fairly good agreement is obtained for E(2) transitions. The hindered M(1) transition strengths are reproduced to the correct order, however they are slightly higher compared to the experiment. (author)

High field induced magnetic transitions in the Y0.7E r0.3F e2D4.2 deuteride

Science.gov (United States)

Paul-Boncour, V.; Guillot, M.; Isnard, O.; Hoser, A.

2017-09-01

The influence of the partial Er for Y substitution on the crystal structure and magnetic properties of YF e2D4.2 has been investigated by high field magnetization and neutron diffraction experiments. Y0.7E r0.3F e2D4.2 compound crystallizes in the same monoclinic structure as YF e2D4.2 described in P c (P1c1) space group with D atoms located in 18 different tetrahedral interstitial sites. A cell volume contraction of 0.6% is observed upon Er substitution, inducing large modification of the magnetic properties. Electronic effect of D insertion as well as lowering of crystal symmetry are important factors determining the magnetic properties of Fe sublattice, which evolves towards more delocalized behavior and modifying the Er-Fe exchange interactions. In the ground state, the Er and Fe moments are arranged ferrimagnetically within the plane perpendicular to the monoclinic b axis and with average moments mEr=6.4 (3 ) μBEr-1 and mFe=2.0 (1 ) μBFe-1 at 10 K. Upon heating, mEr decreases progressively until TEr=55 K . Between 55 K and 75 K, the Fe sublattice undergoes a first-order ferromagnetic-antiferromagnetic (FM-AFM) transition with a cell volume contraction due to the itinerant metamagnetic behavior of one Fe site. In the AFM structure, mFe decreases until the Néel temperature TN=125 K . At high field, two different types of field induced transitions are observed. The Er moments become parallel to the Fe one and saturates to the E r3 + free ion value, leading to an unusual field induced FM arrangement at a transition field BTrans of only 78 kG below 30 K. Then above TM0=66 K , an AFM-FM transition of the Fe sublattice, accompanied by a cell volume increase is observed. BTrans increases linearly versus temperature and with a larger d BTrans/d T slope than for YF e2D4.2 . This has been explained by the additional contribution of Er induced moments above BTrans.

DISCOVERY OF SiO BAND EMISSION FROM GALACTIC B[e] SUPERGIANTS

Energy Technology Data Exchange (ETDEWEB)

Kraus, M. [Astronomický ústav, Akademie věd České republiky, Fričova 298, 251 65 Ondřejov (Czech Republic); Oksala, M. E. [LESIA, Observatoire de Paris, CNRS UMR 8109, UPMC, Université Paris Diderot, 5 place Jules Janssen, F-92190, Meudon (France); Cidale, L. S.; Arias, M. L.; Torres, A. F. [Departamento de Espectroscopía Estelar, Facultad de Ciencias Astronómicas y Geofísicas, Universidad Nacional de La Plata (Argentina); Fernandes, M. Borges, E-mail: michaela.kraus@asu.cas.cz [Observatório Nacional, Rua General José Cristino 77, 20921-400 São Cristovão, Rio de Janeiro (Brazil)

2015-02-20

B[e] supergiants (B[e]SGs) are evolved massive stars in a short-lived transition phase. During this phase, these objects eject large amounts of material, which accumulate in a circumstellar disk-like structure. The expelled material is typically dense and cool, providing the cradle for molecule and dust condensation and for a rich, ongoing chemistry. Very little is known about the chemical composition of these disks, beyond the emission from dust and CO revolving around the star on Keplerian orbits. As massive stars preserve an oxygen-rich surface composition throughout their life, other oxygen-based molecules can be expected to form. As SiO is the second most stable oxygen compound, we initiated an observing campaign to search for first-overtone SiO emission bands. We obtained high-resolution near-infrared L-band spectra for a sample of Galactic B[e]SGs with reported CO band emission. We clearly detect emission from the SiO first-overtone bands in CPD-52 9243 and indications for faint emission in HD 62623, HD 327083, and CPD-57 2874. From model fits, we find that in all these stars the SiO bands are rotationally broadened with a velocity lower than observed in the CO band forming regions, suggesting that SiO forms at larger distances from the star. Hence, searching for and analyzing these bands is crucial for studying the structure and kinematics of circumstellar disks, because they trace complementary regions to the CO band formation zone. Moreover, since SiO molecules are the building blocks for silicate dust, their study might provide insight in the early stage of dust formation.

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.

Rotationally resolved pulsed-field ionization photoelectron bands for O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=0-12) in the energy range of 17.0-18.2 eV

Energy Technology Data Exchange (ETDEWEB)

Song, Y. [Ames Laboratory, U.S. Department of Energy and Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States); Evans, M. [Ames Laboratory, U.S. Department of Energy and Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States); Ng, C. Y. [Ames Laboratory, U.S. Department of Energy and Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States); Hsu, C.-W. [Chemical Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Jarvis, G. K. [Chemical Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

2000-01-15

We have obtained rotationally resolved pulsed-field ionization photoelectron (PFI-PE) spectra for O{sub 2} in the energy range of 17.05-18.13 eV, covering the ionization transitions O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=0-12,N{sup +})(<-)O{sub 2}(X {sup 3}{sigma}{sub g}{sup -},v{sup ''}=0,N{sup ''}). Although these O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}) PFI-PE bands have significant overlaps with vibrational bands for O{sub 2}{sup +}(a {sup 4}{pi}{sub u}) and O{sub 2}{sup +}(X {sup 2}{pi}{sub g}), we have identified all the O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=0-12) bands by simulation of spectra obtained using supersonically cooled O{sub 2} samples with rotational temperatures {approx_equal}20 and 220 K. While these v{sup +}=0-12 PFI-PE bands represent the first rotationally resolved photoelectron data for O{sub 2}{sup +}(A {sup 2}{pi}{sub u}), the PFI-PE bands for O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=9 and 10) are the first rotationally resolved spectroscopic data for these levels. The simulation also allows the determination of accurate ionization energies, vibrational constants, and rotational constants for O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=0-12). The analysis of the PFI-PE spectra supports the conclusion of the previous emission study that the O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=9 and 10) states are strongly perturbed by a nearby electronic state. (c) 2000 American Institute of Physics.

Radiative rates for E1, E2, M1 and M2 transitions in Fe X

International Nuclear Information System (INIS)

Aggarwal, K.M.; Keenan, F.P.

2004-01-01

Energies of the 54 levels belonging to the (1s 2 2s 2 2p 6 ) 3s 2 3p 5 , 3s3p 6 , 3s 2 3p 4 3d and 3s3p 5 3d configurations of Fe X have been calculated using the GRASP code of Dyall and colleagues (1989). Additionally, radiative rates, oscillator strengths, and line strengths are calculated for all electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) transitions among these levels. Comparisons are made with results available in the literature, and the accuracy of the data is assessed. Our energy levels are estimated to be accurate to better than 3%, whereas results for other parameters are probably accurate to better than 20% . Additionally, the agreement between measured and calculated lifetimes is better than 10%. (authors)

Band offsets in ITO/Ga2O3 heterostructures

Science.gov (United States)

Carey, Patrick H.; Ren, F.; Hays, David C.; Gila, B. P.; Pearton, S. J.; Jang, Soohwan; Kuramata, Akito

2017-11-01

The valence band offsets in rf-sputtered Indium Tin Oxide (ITO)/single crystal β-Ga2O3 (ITO/Ga2O3) heterostructures were measured with X-Ray Photoelectron Spectroscopy using the Kraut method. The bandgaps of the component materials in the heterostructure were determined by Reflection Electron Energy Loss Spectroscopy as 4.6 eV for Ga2O3 and 3.5 eV for ITO. The valence band offset was determined to be -0.78 ± 0.30 eV, while the conduction band offset was determined to be -0.32 ± 0.13 eV. The ITO/Ga2O3 system has a nested gap (type I) alignment. The use of a thin layer of ITO between a metal and the Ga2O3 is an attractive approach for reducing contact resistance on Ga2O3-based power electronic devices and solar-blind photodetectors.

Energetic band structure of Zn{sub 3}P{sub 2} crystals

Energy Technology Data Exchange (ETDEWEB)

Stamov, I.G. [Tiraspol State Corporative University, Lablocicin Street 5, 2069 Tiraspol (Moldova, Republic of); Syrbu, N.N., E-mail: sirbunn@yahoo.com [Technical University of Moldova, 168 Stefan cel Mare Avenue, 2004 Chisinau (Moldova, Republic of); Dorogan, A.V. [Technical University of Moldova, 168 Stefan cel Mare Avenue, 2004 Chisinau (Moldova, Republic of)

2013-01-01

Optical functions n, k, {epsilon}{sub 1}, {epsilon}{sub 2} and d{sup 2}{epsilon}{sub 2}/dE{sup 2} have been determined from experimental reflection spectra in the region of 1-10 eV. The revealed electronic transitions are localized in the Brillouin zone. The magnitude of valence band splitting caused by the spin-orbital interaction {Delta}{sub SO} is lower than the splitting caused by the crystal field {Delta}{sub CR} in the center of Brillouin zone and L and X points. The switching effects are investigated in Zn{sub 3}P{sub 2} crystals. The characteristics of experimental samples with electric switching, adjustable resistors, and time relays based on Zn{sub 3}P{sub 2} are presented.

Generalized oscillator strength for the transition Aapprox. /sup 1/B/sup 2u/Xapprox. A/sub 1g/ in benzene at initial kinetic energies 400 eV and 500 eV

Energy Technology Data Exchange (ETDEWEB)

Klump, K N; Lassettre, E N

1977-10-01

Generalized oscillator strengths, f, for the transition A/sup 1/B/sub 2u/ reverse arrow X/sup 1/A/sub 1g/ in benzene, determined by electron impact methods, are reported as a function of the momentum change. At scattering angles down to 2.5/sup 0/ helium was used as the comparison gas. Determinations are also reported at theta = 0/sup 0/ using mercury as the comparison gas. The oscillator strength curve has both a minimum and a maximum due to the superposition of electric dipole and octupole transitions. The band envelope is studied and is shown to remain unchanged in shape but is shifted by h nu/sub 6/ approximately 0.065 eV with increasing angle due to the shift from electric dipole to octupole scattering.

Unexpected structure in the E2 quasicontinuum spectrum of 154Dy

International Nuclear Information System (INIS)

Holzmann, R.; Khoo, T.L.; Ma, W.C.

1988-01-01

The evolution of the γ quasicontinuum spectrum with neutron number has been investigated in the sequence of dysprosium isotopes /sup 152,154,156/Dy. The three nuclei display a pronounced collective E2 component. In 154 Dy this component shows an unexpected splitting into two distinct parts, signifying a structural change along the γ cascade. The E2 and statistical components can be reproduced in simple γ cascade calculations; in 152 Dy and 156 Dy only rotational bands were included, whereas in 154 Dy additional vibration-like transitions were required to reproduce the two E2 peaks. 11 refs., 2 figs

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.

The relation of the broad band with the E2g phonon and superconductivity in the Mg(B1-xCx)2 compound

International Nuclear Information System (INIS)

Parisiades, P.; Lampakis, D.; Palles, D.; Liarokapis, E.; Karpinski, J.

2007-01-01

We have carried out an extensive micro-Raman study on Mg(B 1-x C x ) 2 single crystals, for carbon concentrations up to x=0.15. The E 2g symmetry broad band for pure MgB 2 at ∼600cm -1 disappears even for small doping levels (x=0.027) and two well-defined peaks in the high-energy side of this band play a major role in the Raman spectra of the substituted compounds. We propose that a two-mode behavior of the compound might be present, induced by the coupling of the observed phonons with the electronic bands

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.

The 2ν2 bands of H212CO and H213CO by high-resolution FTIR spectroscopy

Science.gov (United States)

Tan, T. L.; A'dawiah, Rabia'tul; Ng, L. L.

2017-10-01

The Fourier transform infrared (FTIR) absorption spectra of the 2ν2 overtone bands of formaldehyde H212CO and its isotopologue H213CO were recorded at an unapodized resolution of 0.0063 cm-1 in the 3300-3540 cm-1 region. Upper state (v2 = 2) rovibrational up to two sextic centrifugal distortion constants were accurately determined for both H212CO and H213CO. A total of 533 unperturbed infrared transitions of H212CO and 466 unperturbed infrared transitions of H212CO were assigned and fitted with rms deviations of 0.0012 cm-1 and 0.00084 cm-1 respectively using Watson's A-reduced Hamiltonian in the Ir representation. Analysis of new transitions for H212CO measured in this work yielded upper state constants with greater accuracy than previously reported. The infrared transitions of the 2ν2 band of H213CO were measured for the first time. The band center of the A-type 2ν2 band of H212CO was found to be 3471.71403 ± 0.00012 cm-1 and that of H213CO was 3396.628983 ± 0.000083 cm-1. Furthermore, the newly assigned high-resolution infrared lines of the 2ν2 bands in the 3300-3540 cm-1 region can be useful in detecting the H212CO and H213CO molecules in this IR region.

Study of transition probabilities in 192Pt

International Nuclear Information System (INIS)

Roulet, C.; Sergolle, H.; Hubert, P.P.; Lindblad, T.

1978-01-01

The nucleus 192 Pt is Coulomb excited with 370 MeV 84 Kr projectiles. Levels up to spin 8 + (10 + ) in the ground band and up to 6 + in the γ-band are observed. The B(E2) values implied by the observed yields are compared with predictions of different nuclear models. Particular attention is paid to the ground band transition rates and the rotation-alignment model

Rotational band structure in 132La

International Nuclear Information System (INIS)

Oliveira, J.R.B.; Emediato, L.G.R.; Rizzutto, M.A.; Ribas, R.V.; Seale, W.A.; Rao, M.N.; Medina, N.H.; Botelho, S.; Cybulska, E.W.

1989-01-01

'3'2La was studied using on-line gamma-spectroscopy through the reactions '1 24,126 Te( 11,10 B, 3, 4n) 132 La. The excitation function was obtained with 10 B(E lab =41.4; 45.4 and 48 MeV) in order to identify 132 La gamma-transitions. Gamma-gamma coincidences and angular distributions were performed for the 126 Te( 10 B, 4n) 132 La reaction. From the experimental results a rotational band with strongest M1 transitions and less intense 'cross-overs' E2 transitions was constructed. Using the methods of Bengtsson and Frauendorf the alignment (ix) and the Routhian (e') as a function of the angular velocity (ω) were also obtained from the experimental data. It was observed a constant alignment up to ω≅0.4 MeV, and a signature-splitting Δe'=25keV. Preliminary triaxial Cranking-Shell Model calculations indicate that a γ=-8deg deformation is consistent with the signature-splitting value of 25 keV experimentally observed. (Author) [es

Studying NASA's Transition to Ka-Band Communications for Low Earth Orbit

Science.gov (United States)

Chelmins, David T.; Reinhart, Richard C.; Mortensen, Dale; Welch, Bryan; Downey, Joseph; Evans, Michael

2014-01-01

As the S-band spectrum becomes crowded, future space missions will need to consider moving command and telemetry services to Ka-band. NASA's Space Communications and Navigation (SCaN) Testbed provides a software-defined radio (SDR) platform that is capable of supporting investigation of this service transition. The testbed contains two S-band SDRs and one Ka-band SDR. Over the past year, SCaN Testbed has demonstrated Ka-band communications capabilities with NASAs Tracking and Data Relay Satellite System (TDRSS) using both open- and closed-loop antenna tracking profiles. A number of technical areas need to be addressed for successful transition to Ka-band. The smaller antenna beamwidth at Ka-band increases the criticality of antenna pointing, necessitating closed loop tracking algorithms and new techniques for received power estimation. Additionally, the antenna pointing routines require enhanced knowledge of spacecraft position and attitude for initial acquisition, versus an S-band antenna. Ka-band provides a number of technical advantages for bulk data transfer. Unlike at S-band, a larger bandwidth may be available for space missions, allowing increased data rates. The potential for high rate data transfer can also be extended for direct-to-ground links through use of variable or adaptive coding and modulation. Specific examples of Ka-band research from SCaN Testbeds first year of operation will be cited, such as communications link performance with TDRSS, and the effects of truss flexure on antenna pointing.

Evidence for octupole softness of the superdeformed shape from band interactions in sup 193,4 Hg

Energy Technology Data Exchange (ETDEWEB)

Cullen, D.M.; Riley, M.A.; Alderson, A.; Ali, I.; Fallon, P.; Forsyth, P.D.; Hanna, F.; Mullins, S.M.; Roberts, J.W.; Sharpey-Schafer, J.F.; Twin, P.J. (Liverpool Univ. (UK). Oliver Lodge Lab.); Bengtsson, T. (Lund Inst. of Tech. (Sweden). Dept. of Mathematical Physics); Bentley, M.A.; Bruce, A.M.; Simpson, J. (Science and Engineering Research Council, Daresbury (UK). Daresbury Lab.); Nazarewicz, W. (Liverpool Univ. (UK). Oliver Lodge Lab. Politechnika Warszawska (Poland). Inst. Fizyki); Poynter, R.; Regan, P.; Wadsworth, R. (York Univ. (UK). Dept. of Physics); Satula, W. (Warsaw Univ. (Poland). Inst. Fizyki Teoretycznej); Sletten, G. (Niels Bohr Inst., Roskilde (Denmark). Tandem Accelerator Lab.); Wyss, R. (Manne Siegbahn Inst. of Physics, Stockholm (Sweden))

1990-12-24

Three superdeformed (SD) bands have been observed in {sup 194}Hg and four (or five ) SD bands in {sup 193}Hg using the {sup 150}Nd+{sup 48}Ca reaction. All bands except for two in {sup 193}Hg show a steady increase in dynamical moment of inertia J{sup (2)} with rotational frequency. The two exceptional bands form a classical pair of strongly interacting bands. It is suggested that the strong interaction between the bands is caused by a softness to octupole deformation. Evidence is found for the existence of dipole transitions connecting bands of opposite signature in {sup 193}Hg. The strengths of these transitions suggest that they are probably E1 supporting the importance of the role of octupole vibrations. These data suggest the wider importance of octupole softness in enhancing E1 transitions in the SD feeding and decay mechanisms. The spectroscopy of the observed SD bands in {sup 193,4}Hg are discussed in detail and attention is drawn to the 'identical' energies of {gamma}-rays in these isotopes with those in lighter isotopes. The similarities in bands relate to the neutron sub-shell closure for SD nuclei at N=112. (orig.).

Electronic band structure of Two-Dimensional WS2/Graphene van der Waals Heterostructures

Science.gov (United States)

Henck, Hugo; Ben Aziza, Zeineb; Pierucci, Debora; Laourine, Feriel; Reale, Francesco; Palczynski, Pawel; Chaste, Julien; Silly, Mathieu G.; Bertran, François; Le Fèvre, Patrick; Lhuillier, Emmanuel; Wakamura, Taro; Mattevi, Cecilia; Rault, Julien E.; Calandra, Matteo; Ouerghi, Abdelkarim

2018-04-01

Combining single-layer two-dimensional semiconducting transition-metal dichalcogenides (TMDs) with a graphene layer in van der Waals heterostructures offers an intriguing means of controlling the electronic properties through these heterostructures. Here, we report the electronic and structural properties of transferred single-layer W S2 on epitaxial graphene using micro-Raman spectroscopy, angle-resolved photoemission spectroscopy measurements, and density functional theory (DFT) calculations. The results show good electronic properties as well as a well-defined band arising from the strong splitting of the single-layer W S2 valence band at the K points, with a maximum splitting of 0.44 eV. By comparing our DFT results with local and hybrid functionals, we find the top valence band of the experimental heterostructure is close to the calculations for suspended single-layer W S2 . Our results provide an important reference for future studies of electronic properties of W S2 and its applications in valleytronic devices.

Super rigid nature of super-deformed bands

International Nuclear Information System (INIS)

Sharma, Neha; Mittal, H.M.; Jain, A.K.

2012-01-01

The phenomenon of high-spin super-deformation represents one of the most remarkable discoveries in nuclear physics. A large number of SD bands have been observed in A = 60, 80, 130, 150, 190 mass regions. The cascades of SD bands are known to be connected by electric quadruple E2 transitions. Because of absence of linking transitions between superdeformed (SD) and normal deformed (ND) levels, the spin assignments of most of these bands carry a minimum uncertainty ≈ 1-2ħ. It was found in an analysis of SD bands in the context of semi classical approach that moment of inertia comes close to the rigid body value in most of the cases. Lack of knowledge of spins has led to an emphasis on the study of dynamical moment of inertia of SD bands and systematic of kinematic moment of inertia has not been examined so far. In this paper, we extract the band moment of inertia J 0 and softness parameter (σ) of all the SD bands corresponding to axes ratio (x) = 1.5 and present their systematic

β decays on the rotational levels of the 5/2+[642] 169Yb band

International Nuclear Information System (INIS)

Dzhelepov, B.S.; Zhukovskij, N.N.; Shestopalova, S.A.

1993-01-01

Competing 169 Lu β decays into rotational levels of 5/2 + [642] 169 Yb band are considered. Schemes of resolved β decay into 3 levels of deformed nucleus rotational bands, γ transitions linked with excitation and discharge of 169 Yb 5/2, 7/2, 9/2, 5/2 + [642] levels are presented. Matrix elements of axial-vector decay are determined. Data on 12 γ transitions in 169 Lu are presented

Search for excited superdeformed bands in {sup 151}Dy

Energy Technology Data Exchange (ETDEWEB)

Nisius, D.; Janssens, R.V.F.; Crowell, B. [and others

1995-08-01

Following the first report of superdeformed (SD) bands with identical transition energies in the pairs ({sup 151}Tb*,{sup 152}Dy), ({sup 150}Gd*, {sup 151}Tb) and ({sup 153}Dy*, {sup 152}Dy) (where * denotes an excited SD band), it was proposed by Nazarewicz et al. that the observations could be understood in a strong-coupling approach if pseudo SU(3) symmetry were invoked. In this model there are three limiting values of the decoupling parameter; i.e. a = 0, {plus_minus}1. In the first two cases mentioned above the pairs of bands have nearly identical transition energies and are interpreted as proton excitations involving the [200]1/2 pseudospin orbital coupled to the {sup 152}Dy core, for which the value of the decoupling parameter is calculated to be a =+1.

Electronic structures and valence band splittings of transition metals doped GaNs

International Nuclear Information System (INIS)

Lee, Seung-Cheol; Lee, Kwang-Ryeol; Lee, Kyu-Hwan

2007-01-01

For a practical viewpoint, presence of spin splitting of valence band in host semiconductors by the doping of transition metal (TM) ions is an essential property when designing a diluted magnetic semiconductors (DMS) material. The first principle calculations were performed on the electronic and magnetic structure of 3d transition metal doped GaN. V, Cr, and Mn doped GaNs could not be candidates for DMS materials since most of their magnetic moments is concentrated on the TM ions and the splittings of valence band were negligible. In the cases of Fe, Co, Ni, and Cu doped GaNs, on the contrary, long-ranged spin splitting of valence band was found, which could be candidates for DMS materials

Raman study of molecular motions in relation to phase transitions in [Ni(NH3)6](NO3)2

International Nuclear Information System (INIS)

Janik, J.M.; Pick, R.M.; Le Postollec, M.

1987-01-01

A Raman band at 710 cm -1 has been used for the study of the NO 3 - ions reorientation and of the phase transitions in [Ni(NH 3 ) 6 ](NO 3 ) 2 . The strong temperature dependence of the width of this band in phase 1 gives evidence for the NO 3 - reorientations in this phase. The reorientations stop in phase 2. The same band was used for studying the phase 2/phase 3 transition. The large thermal hysteresis of this transition has ben confirmed. 16 refs., 4 figs. (author)

New results on the superdeformed {sup 196}Pb nucleus: The decay of the excited bands to the yrast band

Energy Technology Data Exchange (ETDEWEB)

Bouneau, S.; Azaiez, F.; Duprat, J. [IPN, Orsay (France)] [and others

1996-12-31

The study of the superdeformed (SD) {sup 196}Pb nucleus has been revisited using the EUROGAM phase 2 spectrometer. In addition to the known yrast and two lowest excited SD bands, a third excited SD band has been seen. All of the three excited bands were found to decay to the yrast SD band through, presumably, E1 transitions, allowing relative spin and excitation energy assignments. Comparisons with calculations using the random-phase approximation suggest that all three excited bands can be interpreted as octupole vibrational structures.

Instantaneous band gap collapse in VO{sub 2} caused by photocarrier doping

Energy Technology Data Exchange (ETDEWEB)

Herzog, Marc; Wegkamp, Daniel; Wolf, Martin; Staehler, Julia [Fritz-Haber-Institut der MPG, Berlin (Germany); Xian, Lede; Cudazzo, Pierluigi [Univ. del Pais Vasco, San Sebastian (Spain); European Theoretical Spectroscopy Facility (ETSF) (France); Gatti, Matteo [European Theoretical Spectroscopy Facility (ETSF) (France); Ecole Polytechnique, Palaiseau (France); McGahan, Christina L.; Marvel, Robert E.; Haglund, Richard F. [Vanderbilt Univ., Nashville, Tennessee (United States); Rubio, Angel [Fritz-Haber-Institut der MPG, Berlin (Germany); Univ. del Pais Vasco, San Sebastian (Spain); European Theoretical Spectroscopy Facility (ETSF) (France); MPI for the Structure and Dynamics of Matter, Hamburg (Germany)

2015-07-01

We have investigated the controversially discussed mechanism of the insulator-to-metal transition (IMT) in VO{sub 2} by means of femtosecond time-resolved photoelectron spectroscopy (trPES). Our data show that photoexcitation transforms insulating monoclinic VO{sub 2} quasi-instantaneously into a metal without an 80 fs structural bottleneck for the photoinduced electronic phase transition. First-principles many-body perturbation theory calculations reveal an ultrahigh sensitivity of the VO{sub 2} band gap to variations of the dynamically screened Coulomb interaction thus supporting the fully electronically driven isostructural IMT indicated by our trPES results. We conclude that the ultrafast band structure renormalization is caused by photoexcitation of carriers from localized V 3d valence states, strongly changing the screening before significant hot-carrier relaxation or ionic motion has occurred.

Structural transitions in Pb(In1∕2Nb1∕2O3 under pressure

Directory of Open Access Journals (Sweden)

Muhtar Ahart

2015-12-01

Full Text Available Room-temperature Raman scattering and x-ray diffraction measurements together with first-principles calculations were employed to investigate the behavior of disordered Pb(In1∕2Nb1∕2O3 (PIN under pressure up to 50GPa. Raman spectra show broad bands but a peak near the 380cm−1 increases its intensity with pressure. The linewidth of the band at 550cm−1 also increases with pressure, while two of the Raman peaks merge above 6GPa. Above 16GPa, we observe additional splitting of the band at 50cm−1. The pressure evolution of the diffraction patterns for PIN shows obvious Bragg peaks splitting above 16GPa; consistent with a symmetry lowering transition. The transition at 0.5GPa is identified as a pseudo-cubic to orthorhombic (Pbam structural change whereas the transition at 16GPa is isostructure and associated with changes in linear compressibility and octahedral titling, and the transition at 30GPa is associated to an orthorhombic to monoclinic change. First-principles calculations indicate that the Pbam structure is ground state with antiferrodisdortion consistent with experiment.

On the nature and temperature dependence of the fundamental band gap of In{sub 2}O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Irmscher, K.; Naumann, M.; Pietsch, M.; Galazka, Z.; Uecker, R.; Schulz, T.; Schewski, R.; Albrecht, M.; Fornari, R. [Leibniz-Institut fuer Kristallzuechtung, Berlin (Germany)

2014-01-15

The onset of optical absorption in In{sub 2}O{sub 3} at about 2.7 eV is investigated by transmission spectroscopy of single crystals grown from the melt. This absorption is not defect related but is due to the fundamental band gap of In{sub 2}O{sub 3}. The corresponding spectral dependence of the absorption coefficient is determined up to α = 2500 cm{sup -1} at a photon energy hν = 3.05 eV at room temperature without indication of saturation. A detailed analysis of the hν dependence of α including low-temperature absorption data shows that the absorption process can be well approximated by indirect allowed transitions. It is suggested that the fundamental band gap of In{sub 2}O{sub 3} is of indirect nature. The temperature dependence of the fundamental band gap is measured over a wide range from 9 to 1273 K and can be well fitted by a single-oscillator model. Compared to other semiconductors the reduction of the gap with increasing temperature is exceptionally strong in In{sub 2}O{sub 3}. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Origin of the 2.45 eV luminescence band observed in ZnO epitaxial layers grown on c-plane sapphire by chemical vapour deposition

International Nuclear Information System (INIS)

Saroj, R K; Dhar, S

2014-01-01

Zinc oxide epitaxial layers have been grown on c-plane sapphire substrates by the chemical vapour deposition (CVD) technique. A structural study shows (0001)-oriented films with good crystalline quality. The temperature and excitation power dependence of the photoluminescence (PL) characteristics of these layers is studied as a function of various growth parameters, such as the growth temperature, oxygen flow rate and Zn flux, which suggest that the origin of the broad visible luminescence (VL), which peaks at 2.45 eV, is the transition between the conduction band and the Zn vacancy acceptor states. A bound excitonic transition observed at 3.32 eV in low temperature PL has been identified as an exciton bound to the neutral Zn vacancy. Our study also reveals the involvement of two activation processes in the dynamics of VL, which has been explained in terms of the fluctuation of the capture barrier height for the holes trapped in Zn vacancy acceptors. The fluctuation, which might be a result of the inhomogeneous distribution of Zn vacancies, is found to be associated with an average height of 7 and 90 meV, respectively, for the local and global maxima. (paper)

Sub-band-gap absorption in Ga2O3

Science.gov (United States)

Peelaers, Hartwin; Van de Walle, Chris G.

2017-10-01

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

Zero-phonon line and fine structure of the yellow luminescence band in GaN

Science.gov (United States)

Reshchikov, M. A.; McNamara, J. D.; Zhang, F.; Monavarian, M.; Usikov, A.; Helava, H.; Makarov, Yu.; Morkoç, H.

2016-07-01

The yellow luminescence band was studied in undoped and Si-doped GaN samples by steady-state and time-resolved photoluminescence. At low temperature (18 K), the zero-phonon line (ZPL) for the yellow band is observed at 2.57 eV and attributed to electron transitions from a shallow donor to a deep-level defect. At higher temperatures, the ZPL at 2.59 eV emerges, which is attributed to electron transitions from the conduction band to the same defect. In addition to the ZPL, a set of phonon replicas is observed, which is caused by the emission of phonons with energies of 39.5 meV and 91.5 meV. The defect is called the YL1 center. The possible identity of the YL1 center is discussed. The results indicate that the same defect is responsible for the strong YL1 band in undoped and Si-doped GaN samples.

Optical properties of chalcopyrite-type intermediate transition metal band materials from first principles

International Nuclear Information System (INIS)

Aguilera, I.; Palacios, P.; Wahnon, P.

2008-01-01

The optical properties of a novel potential high-efficiency photovoltaic material have been studied. This material is based on a chalcopyrite-type semiconductor (CuGaS 2 ) with some Ga atom substituted by Ti and is characterized by the formation of an isolated transition-metal band between the valence band and the conduction band. We present a study in which ab-initio density functional theory calculations within the generalized gradient approximation are carried out to determine the optical reflectivity and absorption coefficient of the materials of interest. Calculations for the host semiconductor are in good agreement with experimental results within the limitations of the approach. We find, as desired, that because of the intermediate band, the new Ti-substituted material would be able to absorb photons of energy lower than the band-gap of the host chalcopyrite. We also analyze the partial contributions to the main peaks of its spectrum

Einstein coefficients for rotational lines of the (0,0) band of the NO A2sigma(+)-X2Pi system

Science.gov (United States)

Reisel, John R.; Carter, Campbell D.; Laurendeau, Normand M.

1992-01-01

A summary of the spectroscopic equations necessary for prediction of the molecular transition energies and the Einstein A and B coefficients for rovibronic lines of the gamma(0,0) band of nitric oxide (NO) is presented. The calculated molecular transition energies are all within 0.57/cm of published experimental values; in addition, over 95 percent of the calculated energies give agreement with measured results within 0.25/cm. Einstein coefficients are calculated from the band A00 value and the known Hoenl-London factors and are tabulated for individual rovibronic transitions in the NO A2sigma(+)-X2Pi(0,0) band.

Dual-Comb Spectroscopy of the ν_1+ ν_3 Band of Acetylene: Intensity and Transition Dipole Moment

Science.gov (United States)

Iwakuni, Kana; Okubo, Sho; Yamada, Koichi MT; Inaba, Hajime; Onae, Atsushi; Hong, Feng-Lei; Sasada, Hiroyuki

2017-06-01

The ν_1+ν_3 vibration band of ^{12}C_2H_2 is recorded with a homemade dual-comb spectrometer. The spectral resolution and the accuracy of frequency determination are high, and the bandwidth is broad enough to take spectrum of the whole band in one shot. The last remarkable competence enables us to record all the spectral lines under constant experimental conditions. The linewidth and line strength of the P(26) to R(29) transitions are determined by fitting the line profile to Lambert-Beer's law with a Voigt function. In the course of analysis, we found the ortho-para dependence of the pressure-broadening coefficient. This time, we have determined the transition dipole moment of the ν_1+ν_3 band. It is noted that the transition dipole moment determined from the ortho lines agrees with that from the para lines. S. Okubo et al., Applied Physics Express 8, 082402 (2015). K.Iwakuni et al., 71th ISMS, WK15 K. Iwakuni et al., Physical Review Letters 117, 143902 (2016).

Systematic study of photoluminescence upon band gap excitation in perovskite-type titanates R 1/2Na1/2TiO3:Pr (R=La, Gd, Lu, and Y)

International Nuclear Information System (INIS)

Inaguma, Yoshiyuki; Tsuchiya, Takeshi; Katsumata, Tetsuhiro

2007-01-01

Pr 3+ -doped perovskites R 1/2 Na 1/2 TiO 3 :Pr (R=La, Gd, Lu, and Y) were synthesized, and their structures, optical absorption and luminescent properties were investigated, and the relationship between structures and optical properties are discussed. Optical band gap of R 1/2 Na 1/2 TiO 3 increases in the order R=La, Gd, Y, and Lu, which is primarily due to a decrease in band width accompanied by a decrease in Ti-O-Ti bond angle. Intense red emission assigned to f-f transition of Pr 3+ from the excited 1 D 2 level to the ground 3 H 4 state upon the band gap photo-excitation (UV) was observed for all compounds. The wavelength of emission peaks was red-shifted in the order R=La, Gd, Y, and Lu, which originates from the increase in crystal field splitting of Pr 3+ . This is attributed to the decrease in inter-atomic distances of Pr-O together with the inter-atomic distances (R, Na)-O, i.e., increase in covalency between Pr and O. The results indicate that the luminescent properties in R 1/2 Na 1/2 TiO 3 :Pr are governed by the relative energy level between the ground and excited state of 4f 2 for Pr 3+ , and the conduction and valence band, which is primarily dependent on the structure, e.g., the tilt of TiO 6 octahedra and the Pr-Ti inter-atomic distance and the site symmetry of Pr ion. - Graphical abstract: The red intense emission assigned to f-f transition of Pr 3+ from the excited 1 D 2 level to the ground 3 H 4 state upon the band gap photo-excitation (UV) was observed upon the band gap photo-excitation in perovskites R 1/2 Na 1/2 TiO 3 :Pr(R=La, Gd, Lu, and Y). It was found that the systematic changes in their luminescent properties are strongly dependent on the structure

Electronic transitions and band offsets in C60:SubPc and C60:MgPc on MoO3 studied by modulated surface photovoltage spectroscopy

International Nuclear Information System (INIS)

Fengler, S.; Dittrich, Th.; Rusu, M.

2015-01-01

Electronic transitions at interfaces between MoO 3 layers and organic layers of C 60 , SubPc, MgPc, and nano-composite layers of SubPc:C 60 and MgPc:C 60 have been studied by modulated surface photovoltage (SPV) spectroscopy. For all systems, time dependent and modulated SPV signals pointed to dissociation of excitons at the MoO 3 /organic layer interfaces with a separation of holes towards MoO 3 . The highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gaps (E HL ) of C 60 , SubPc, and MgPc and the effective E HL of SubPc:C 60 and MgPc:C 60 were measured. The offsets between the LUMO (ΔE L ) or HOMO (ΔE H ) bands were obtained with high precision and amounted to 0.33 or 0.73 eV for SubPc:C 60 , respectively, and to −0.33 or 0.67 eV for MgPc:C 60 , respectively. Exponential tails below E HL and most pronounced sub-bandgap transitions were characterized and ascribed to disorder and transitions from HOMO bands to unoccupied defect states

Band engineering in twisted molybdenum disulfide bilayers

Science.gov (United States)

Zhao, Yipeng; Liao, Chengwei; Ouyang, Gang

2018-05-01

In order to explore the theoretical relationship between interlayer spacing, interaction and band offset at the atomic level in vertically stacked two-dimensional (2D) van der Waals (vdW) structures, we propose an analytical model to address the evolution of interlayer vdW coupling with random stacking configurations in MoS2 bilayers based on the atomic-bond-relaxation correlation mechanism. We found that interlayer spacing changes substantially with respect to the orientations, and the bandgap increases from 1.53 eV (AB stacking) to 1.68 eV (AA stacking). Our results reveal that the evolution of interlayer vdW coupling originates from the interlayer interaction, leading to interlayer separations and electronic properties changing with stacking configurations. Our predictions constitute a demonstration of twist engineering the band shift in the emergent class of 2D crystals, transition-metal dichalcogenides.

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.

Simple relations for the excitation energies E2 and the transition probabilities B (E2) of neighboring doubly even nuclides

International Nuclear Information System (INIS)

Patnaik, R.; Patra, R.; Satpathy, L.

1975-01-01

For even-even nuclei, the excitation energy E2 and the reduced transition probability B (E2) between the ground state and the first excited 2 + state have been considered. On the basis of different models, it is shown that for a nucleus N, Z the relations E2N, Z + E2N + 2,Z + 2 - E2N + 2, Z - E2N, Z + 2 approx. = 0 and B (E2)N, Z + B (E2)N + 2,Z + 2 - B (E2)N + 2,Z - B (E2)N, Z + 2 approx. = 0 hold good, except in certain specified regions. The goodness of these difference equations is tested with the available experimental data. The difference equation of Ross and Bhaduri is shown to follow from our approach. Some predictions of unmeasured E2 and B (E2) values have been made

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)

Study of the structure of yrast bands of neutron-rich 114-124Pd isotopes

Science.gov (United States)

Chaudhary, Ritu; Devi, Rani; Khosa, S. K.

2018-02-01

The projected shell model calculations have been carried out in the neutron-rich 114-124Pd isotopic mass chain. The results have been obtained for the deformation systematics of E(2+1) and E(4+1)/E({2}+1) values, BCS subshell occupation numbers, yrast spectra, backbending phenomena, B( E2) transition probabilities and g-factors in these nuclei. The observed systematics of E(2+1) values and R_{42} ratios in the 114-124Pd isotopic mass chain indicate that there is a decrease of collectivity as the neutron number increases from 68 to 78. The occurrence of backbending in these nuclei as well as the changes in the calculated B( E2) transition probabilities and g -factors predict that there are changes in the structure of yrast bands in these nuclei. These changes occur at the spin where there is crossing of g-band by 2-qp bands. The predicted backbendings and predicted values of B( E2)s and g-factors in some of the isotopes need to be confirmed experimentally.

Broadband S-band class E HPA

NARCIS (Netherlands)

Wanum, M.; van Dijk, R.; de Hek, A.P.; van Vliet, Frank Edward

2009-01-01

A broadband class E High Power Amplifier (HPA) is presented. This HPA is designed to operate at S-band (2.75 to 3.75 GHz). A power added efficiency of 50% is obtained for the two stage amplifier with an output power of 35.5 dBm on a chip area of 5.25 times 2.8 mm2.

O2 atmospheric band measurements with WINDII: Performance of a narrow band filter/wide angle Michelson combination in space

International Nuclear Information System (INIS)

Ward, W.E.; Hersom, C.H.; Tai, C.C.; Gault, W.A.; Shepherd, G.G.; Solheim, B.H.

1994-01-01

Among the emissions viewed by the Wind Imaging Interferometer (WINDII) on the Upper Atmosphere Research Satellite (UARS) are selected lines in the (0-0) transition of the O2 atmospheric band. These lines are viewed simultaneously using a narrow band filter/wide-angle Michelson interferometer combination. The narrow band filter is used to separate the lines on the CCD (spectral-spatial scanning) and the Michelson used to modulate the emissions so that winds and rotational temperatures may be measured from the Doppler shifts and relative intensities of the lines. In this report this technique will be outlined and the on-orbit behavior since launch summarized

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

Science.gov (United States)

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

2018-02-01

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

Transition dipole-moment of the ν1 +ν3 band of acetylene measured with dual-comb Fourier-transform spectroscopy

Science.gov (United States)

Okubo, Sho; Iwakuni, Kana; Yamada, Koichi M. T.; Inaba, Hajime; Onae, Atsushi; Hong, Feng-Lei; Sasada, Hiroyuki

2017-11-01

The ν1 +ν3 vibration band of acetylene (C2H2) in the near infrared region was recorded with a dual-comb Fourier-transform spectrometer. We observed 56 transitions from P (26) to R (29) at six different column densities. The integral line intensity was determined for each recorded absorption line by fitting the line profile to Lambert-Beer's law with a Voigt function. Thanks to the outstanding capability of dual-comb spectroscopy to cover a broad spectrum in a relatively short time with high resolution and high frequency precision, we determined the reliable line strength for each ro-vibrational transition as well as the transition dipole moment for this band.

GROUND-BASED TRANSIT OBSERVATIONS OF THE SUPER-EARTH 55 Cnc e

Energy Technology Data Exchange (ETDEWEB)

De Mooij, E. J. W. [Astronomy and Astrophysics, University of Toronto, Toronto (Canada); López-Morales, M. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA (United States); Karjalainen, R.; Hrudkova, M. [Isaac Newton Group of Telescopes, La Palma (Spain); Jayawardhana, Ray, E-mail: demooij@astro.utoronto.ca [Physics and Astronomy, York University, Toronto (Canada)

2014-12-20

We report the first ground-based detections of the shallow transit of the super-Earth exoplanet 55 Cnc e using a 2 m class telescope. Using differential spectrophotometry, we observed one transit in 2013 and another in 2014, with average spectral resolutions of ∼700 and ∼250, spanning the Johnson BVR photometric bands. We find a white light planet-to-star radius ratio of 0.0190{sub −0.0027}{sup +0.0023} from the 2013 observations and 0.0200{sub −0.0018}{sup +0.0017} from the 2014 observations. The two data sets combined result in a radius ratio of 0.0198{sub −0.0014}{sup +0.0013}. These values are all in agreement with previous space-based results. Scintillation noise in the data prevents us from placing strong constraints on the presence of an extended hydrogen-rich atmosphere. Nevertheless, our detections of 55 Cnc e in transit demonstrate that moderate-sized telescopes on the ground will be capable of routine follow-up observations of super-Earth candidates discovered by the Transiting Exoplanet Survey Satellite around bright stars. We expect it also will be possible to place constraints on the atmospheric characteristics of those planets by devising observational strategies to minimize scintillation noise.

Band structure of semiconductor compounds of Mg sub 2 Si and Mg sub 2 Ge with strained crystal lattice

CERN Document Server

Krivosheeva, A V; Shaposhnikov, V L; Krivosheev, A E; Borisenko, V E

2002-01-01

The effect of isotopic and unaxial deformation of the crystal lattice on the electronic band structure of indirect band gap semiconductors Mg sub 2 Si and Mg sub 2 Ge has been simulated by means of the linear augmented plane wave method. The reduction of the lattice constant down to 95 % results in a linear increase of the direct transition in magnesium silicide by 48%. The stresses arising under unaxial deformation shift the bands as well as result in splitting of degenerated states. The dependence of the interband transitions on the lattice deformation is nonlinear in this case

Effects of the c-Si/a-SiO2 interfacial atomic structure on its band alignment: an ab initio study.

Science.gov (United States)

Zheng, Fan; Pham, Hieu H; Wang, Lin-Wang

2017-12-13

The crystalline-Si/amorphous-SiO 2 (c-Si/a-SiO 2 ) interface is an important system used in many applications, ranging from transistors to solar cells. The transition region of the c-Si/a-SiO 2 interface plays a critical role in determining the band alignment between the two regions. However, the question of how this interface band offset is affected by the transition region thickness and its local atomic arrangement is yet to be fully investigated. Here, by controlling the parameters of the classical Monte Carlo bond switching algorithm, we have generated the atomic structures of the interfaces with various thicknesses, as well as containing Si at different oxidation states. A hybrid functional method, as shown by our calculations to reproduce the GW and experimental results for bulk Si and SiO 2 , was used to calculate the electronic structure of the heterojunction. This allowed us to study the correlation between the interface band characterization and its atomic structures. We found that although the systems with different thicknesses showed quite different atomic structures near the transition region, the calculated band offset tended to be the same, unaffected by the details of the interfacial structure. Our band offset calculation agrees well with the experimental measurements. This robustness of the interfacial electronic structure to its interfacial atomic details could be another reason for the success of the c-Si/a-SiO 2 interface in Si-based electronic applications. Nevertheless, when a reactive force field is used to generate the a-SiO 2 and c-Si/a-SiO 2 interfaces, the band offset significantly deviates from the experimental values by about 1 eV.

M1-E2 mixing ratios and B(E2) values for transitions in 131Xe

International Nuclear Information System (INIS)

Vijay Sai, K.; Deepa, S.; Ashish, T.; Venkataramaniah, K.; Madhusudan, K.

2012-01-01

The accuracies of M1-E2 mixing ratios calculated from the experimental conversion coefficients α i depend upon the accuracy with which the conversion coefficients are determined and also on the accuracy of the theoretical values. Recently a new calculation of ICCs by Band et al, BRICC has been published. The calculations are based on the relativistic DF method in which the exchange interactions between bound electrons and free electrons receding to infinity during the conversion process are treated exactly. Gerl et al showed that BRICC values are more closer to experimental values when compared to earlier theoretical values of Hager and Seltzer and Rosel. The availability of the BRICC values is expected to increase the accuracy with which the estimated quadrupole contents can be obtained

Search for positive parity bands in 117Xe

International Nuclear Information System (INIS)

Liu, Z.; Sun, X.; Zhou, X.; Lei, X.; Zhang, Y.; Jin, H.; Pan, Q.; Guo, Y.; Chen, X.; Luo, Y.; Wen, S.; Yuan, G.; Yang, C.; Luo, W.; Chen, Y.S.; Xing, Z.; Chen, X.Q.

1995-01-01

Excited states of 117 Xe were populated via the reaction 28 Si+ 92 Mo at 100-120MeV. More than 40 new γ-transitions and three new positive parity bands have been observed by means of in-beam γ-ray spectroscopy. The previously known νh 11/2 bands were confirmed, and the νg 7/2 favored band was extended up to 47/2 + in which two bandcrossings have been observed at hω=0.33 and 0.44MeV, respectively. The band structures have been discussed by means of TRS and CSM calculations. A newly observed rotational band consisting of five γ-transitions has been considered as the πh 11/2 band of 117 Cs. ((orig.))

Comprehensive picture of VO2 from band theory

KAUST Repository

Zhu, Zhiyong; Schwingenschlö gl, Udo

2012-01-01

The structural, electronic, and magnetic features of the metal-insulator transition from the tetragonal rutile (R) to the monoclinic (M1) phase of VO2 are well reproduced by band theory using the modified Becke-Johnson exchange potential. Based

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.

Light-induced ultrafast phase transitions in VO2 thin film

International Nuclear Information System (INIS)

Lysenko, S.; Rua, A.J.; Vikhnin, V.; Jimenez, J.; Fernandez, F.; Liu, H.

2006-01-01

Vanadium dioxide shows a passive and reversible change from a monoclinic insulator phase to a metallic tetragonal rutile structure when the sample temperature is close to and over 68 deg. C. As a kind of functional material, VO 2 thin films deposited on fused quartz substrates were successfully prepared by the pulsed laser deposition (PLD) technique. With laser illumination at 400 nm on the obtained films, the phase transition (PT) occurred. The observed light-induced PT was as fast as the laser pulse duration of 100 fs. Using a femtosecond laser system, the relaxation processes in VO 2 were studied by optical pump-probe spectroscopy. Upon a laser excitation an instantaneous response in the transient reflectivity and transmission was observed followed by a relatively longer relaxation process. The alteration is dependent on pump power. The change in reflectance reached a maximum value at a pump pulse energy between 7 and 14 mJ/cm 2 . The observed PT is associated with the optical interband transition in VO 2 thin film. It suggests that with a pump laser illuminating on the film, excitation from the d θ,ε - state of valence band to the unoccupied excited mixed d θ,ε -π* - state of the conduction band in the insulator phase occurs, followed by a resonant transition to an unoccupied excited mixed d θ,ε -π* - state of the metallic phase band

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.)

Determination of the flat band potential for In sub 2 S sub 3 /electrolyte interfaces

Energy Technology Data Exchange (ETDEWEB)

Herrasti, P; Fatas, E [Universidad Autonoma, Madrid (ES). Dept. de Quimica; Herrero, J; Ortega, J [CIEMAT, Madrid (ES). Inst. de Energias Renovables

1990-02-01

Flat band potentials V{sub fb} of In{sub 2}S{sub 3} polycrystalline thin films obtained by chalcogenization of electroplated metallic indium films on Ti substrates with a flowing stream of H{sub 2}S gas have been obtained. The variation of this potential with different redox couples, solution concentration and pH values has been studied. Photoelectrochemical characterization of the electrodes was accomplished in aqueous polysulphide solutions and the application of the Gartner-Butler model to the semiconductor/electrolyte interface makes it possible to obtain the semiconductor energy gap. The value obtained is 2.06 eV, corresponding to a direct allowed transition. (author).

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

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

Science.gov (United States)

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

2018-04-01

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

Transparent wide band gap crystals follow indirect allowed transition and bipolaron hopping mechanism

Directory of Open Access Journals (Sweden)

Feroz A. Mir

2014-01-01

Full Text Available Recently, we carried out structural, optical and dielectric studies on micro-crystals of Oxypeucedanin (C16H14O5, isolated from the roots of plant Prangos pabularia (Mir et al. (2014 [3,4]. The obtained trend in frequency exponent (s with frequency (ω indicates that the universal dynamic response is followed by this compound. From optical absorption spectroscopy, the optical band gap (Eg was estimated around 3.76 eV and system is showing indirect allowed transition. Using Eg in certain relation of s, a close value of s (as much close obtained by fitting ac conductivity was obtained. This method was further used for other similar systems and again same trend was obtained. So a general conclusion was made that the high transmitting wide band insulators or semiconductors may follow bipolaron hopping transport mechanism.

Close near-degeneracy in a pair of four-quasiparticle bands in 194Tl

International Nuclear Information System (INIS)

Masiteng, P.L.; Lawrie, E.A.; Ramashidzha, T.M.; Bark, R.A.; Carlsson, B.G.; Lawrie, J.J.; Lindsay, R.; Komati, F.; Kau, J.; Maine, P.; Maliage, S.M.; Matamba, I.; Mullins, S.M.; Murray, S.H.T.; Mutshena, K.P.; Pasternak, A.A.; Ragnarsson, I.

2013-01-01

A pair of rotational bands associated with the πh 9/2 ⊗νi 13/2 −1 configuration at lower spins and with the πh 9/2 ⊗νi 13/2 −3 configuration at higher spins is found in 194 Tl. The two 4-quasiparticle bands show exceptionally close near-degeneracy in the excitation energies. Furthermore close similarity is also found in their alignments and B(M1)/B(E2) reduced transition probability ratios. Such close near-degeneracy probably indicates chiral geometry in the angular momentum space

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

Gamma spectroscopical studies of strongly deformed rotational bands in 73Br and 79Sr

International Nuclear Information System (INIS)

Heese, J.

1989-01-01

In the framework of this thesis the excitation structures of the nuclei 73 Br and 79 Sr were studied. For the population of high-spin states the reactions 40 Ca( 36 Ar,3p) 73 Br, -58 Ni( 24 Mg,2αp) 73 Br and 58 Ni( 24 Mg,2pn) 79 Sr were used. The level scheme of 73 Br could be extended by γγ coincidence measurements by 18 new states up to the spins 45/2 + respectively 45/2 - . DSA lifetime measurements yielded information about the deformations of the observed rotational bands. The conversion coefficients of the low-energetic transitions in the range of the excitation spectrum below 500 keV were determined and allowed the assignments of spins and parities. Furthermore the converted decay of the 27-keV state was observed for the first time, from the measured intensities of the electron line the lifetime of this state was estimated to 1.1 ≤ τ ≤ 9.1 μs. The measurement of the lifetime and the g factor of the isomeric 240-keV state confirmed the already known spin values and allowed statements on the particle structure. Lifetime measurements in 79 Sr were performed up to the states 21/2 + and 17/2 - . They yielded informations on E2 and M1 transition strengthened in the rotational bands. The transition strengths calculated from the lifetimes show that both nuclei are strongly prolate deformed. The sign of the deformation could be concluded in the case of 73 Br from the observed band structure, in 79 Sr it was calculated from E2/M1 mixing ratios. The E2-transition strengths show a reduction in both nuclei in the region of the g 9/2 proton alignment. Alignment effects in the rotational bands were discussed in the framework of the cranked shell model. Microscopical calculations in the Hartree-Fock-Bogolyubov cranking model with a deformed Woods-Saxon potential were performed. (orig./HSI) [de

Observation of reduced phase transition temperature in N-doped thermochromic film of monoclinic VO_2

International Nuclear Information System (INIS)

Wan, Meinan; Xiong, Mo; Li, Neng; Liu, Baoshun; Wang, Shuo; Ching, Wai-Yim; Zhao, Xiujian

2017-01-01

Highlights: • N-doped VO_2(M1) thin films have been synthesized by annealing in NH_3 atmosphere. • The phase purity, microstructure and optical property of VO_2 thin film can be regulated by NH_3 concentration. • First-principles calculations have been carried out to study the mechanism of N-doping on energy band structures of VO_2(M1). • The energy band gaps of VO_2(M1) are tuned by substitution N-doping or interstitial N-doping. - Abstract: Research on monoclinic (M1) phase of VO_2 has attracted a great of interest for smart coating applications due to its exceptional thermochromic property. Herein, we report the results using a novel approach to synthesize N-doped VO_2(M1) thin films with high purity by heat treatment in NH_3 atmosphere. The N dopant in the film can be regulated by varying NH_3 concentration during the annealing process. We find that the N atoms are located at the interstitial sites or substitute oxygen atoms, and the V-N bonds in the VO_2 thin films increase with NH_3 concentration. The metal to insulator transition (MIT) temperature (τ_c_,_h) of the VO_2 thin film is effectively reduced from 80.0 to 62.9 °C, while the solar modulation efficiency (ΔT_s_o_l) and the modulation efficiency at 2000 nm (ΔT_2_0_0_0_n_m) are 7.36% and 55.6% respectively. The band gap of N-doped VO_2 thin films related to MIT (E_g_1) is estimated to be as low as 0.18–0.25 eV whereas the band gap associated with the visible transparency (E_g_2) is about 1.50–1.58 eV. Based on the highly accurate first-principles calculations, the E_g_1 of VO_2 (M1) is reduced after substituted or interstitial N-doping, while the E_g_2 alters with the mode of N-doping, which is excellent agreement with experimental measurement.

A Novel Ku-Band/Ka-Band and Ka-Band/E-Band Multimode Waveguide Couplers for Power Measurement of Traveling-Wave Tube Amplifier Harmonic Frequencies

Science.gov (United States)

Wintucky, Edwin G.; Simons, Rainee N.

2015-01-01

This paper presents the design, fabrication and test results for a novel waveguide multimode directional coupler (MDC). The coupler, fabricated from two dissimilar frequency band waveguides, is capable of isolating power at the second harmonic frequency from the fundamental power at the output port of a traveling-wave tube (TWT) amplifier. Test results from proof-of-concept demonstrations are presented for a Ku-band/Ka-band MDC and a Ka-band/E-band MDC. In addition to power measurements at harmonic frequencies, a potential application of the MDC is in the design of a satellite borne beacon source for atmospheric propagation studies at millimeter-wave (mm-wave) frequencies (Ka-band and E-band).

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

Accurate calculation of superdeformed bands in Hg and Pb

International Nuclear Information System (INIS)

Lei Yian; Zeng Jinyan

1993-01-01

The superdeformed (SD) rotational bands in Hg and Pb are analyzed by means of the abc expression for rotational bands, which was derived from the Bohr Hamiltonian. The agreement between calculated and observed transition energies is incredibly well. The deviation of the calculated E' γ s from the observed results turns out to be absolute value δ ≤0.5 keV (except for a few cases, 0.5 kev ≤ absolute value δ ≤ 0.7 keV). Some transitions which have not been observed yet in these SD bands are also predicted, which may be useful for experimental investigation

Physical properties and band structure of reactive molecular beam epitaxy grown oxygen engineered HfO{sub 2{+-}x}

Energy Technology Data Exchange (ETDEWEB)

Hildebrandt, Erwin; Kurian, Jose; Alff, Lambert [Institute of Materials Science, Technische Universitaet Darmstadt, 64287 Darmstadt (Germany)

2012-12-01

We have conducted a detailed thin film growth structure of oxygen engineered monoclinic HfO{sub 2{+-}x} grown by reactive molecular beam epitaxy. The oxidation conditions induce a switching between (111) and (002) texture of hafnium oxide. The band gap of oxygen deficient hafnia decreases with increasing amount of oxygen vacancies by more than 1 eV. For high oxygen vacancy concentrations, defect bands form inside the band gap that induce optical transitions and p-type conductivity. The resistivity changes by several orders of magnitude as a function of oxidation conditions. Oxygen vacancies do not give rise to ferromagnetic behavior.

Tunable diode laser measurement of self broadening versus temperature of five close ammonia transitions of the v2 band

International Nuclear Information System (INIS)

Baldacchini, G.; D'Amato, F.; Buffa, G.; Tarrini, O.; Ciucci, A.

1995-08-01

Self broadening coefficients have been measured as a functional of temperature form 192 to 377 K for five transition lines of the band of ammonia. The results have been compared with theoretical calculations performed in the semiclassical impact approximation, and although one hot transition does not fit well in this scheme, there is in general a fairly good agreement. Moreover there is also an experimental and theoretical evidence against the commonly assumed power law for the temperature dependence. More measurements are needed to clarify the position of the hot transitions in this respect and to verify the extent of validity of the power law in general

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.

Direct evidence for a systematic evolution of optical band gap and local disorder in Ag, in doped Sb{sub 2}Te phase change material

Energy Technology Data Exchange (ETDEWEB)

Shukla, Krishna Dayal; Sahu, Smriti [Discipline of Electrical Engineering, Indian Institute of Technology Indore (India); Manivannan, Anbarasu [Discipline of Electrical Engineering, Indian Institute of Technology Indore (India); Metallurgical Engineering and Materials Science, Indian Institute of Technology Indore, Indore (India); Deshpande, Uday Prabhakarrao [UGC-DAE Consortium for Scientific Research, Indore (India)

2017-12-15

Rapid and reversible switching properties of Ag, In doped Sb{sub 2}Te (AIST) phase change material is widely used in re-writable optical data storage applications. We report here a systematic evolution of optical band gap (E{sub g}), local disorder (Tauc parameter, β), and Urbach energy (E{sub U}) of AIST material during amorphous to crystalline transition using in situ UV-Vis-NIR spectroscopy. Unlike GeTe-Sb{sub 2}Te{sub 3} (GST) family, AIST material is found to show unique characteristics as evidenced by the presence of direct forbidden transitions. Crystallization is accompanied by a systematic reduction in E{sub g} from 0.50 eV (as-deposited amorphous at 300 K) to 0.18 eV (crystalline at 300 K). Moreover, decrease in E{sub U} (from 272 to 212 meV) and β is also observed during increasing the temperature in the amorphous phase, revealing direct observation of enhancement of the medium-range order and distortion in short range order, respectively. These findings of optical transition would be helpful for distinguishing the unique behavior of AIST material from GST family. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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.

Assignment of Nilsson orbitals at superdeformation - identical bands

Energy Technology Data Exchange (ETDEWEB)

Ragnarsson, I [Lund Univ. (Sweden). Dept. of Mathematical Physics

1992-08-01

The relative transition energies of superdeformed rotational bands are used to extract ``effective alignments`` of the valence particles. It is found that the effective alignments give a direct picture of the Nilsson orbitals which are active in {sup 146-150}Gd, i.e., especially the orbitals [651 1/2] and [642 5/2], and that all bands observed in these nuclei can be understood within one consistent scheme. The experimental features are reproduced in calculations using the Nilsson-Strutinsky cranking model. The nearly identical transition energies seen in neighboring odd-proton and even-proton nuclei in the Dy/Tb/Gd region are investigated using the same formalism. Again, a consistent picture seems to emerge where, as suggested previously, the nucleus with a hole in the [301 1/2] Nilsson orbital and the corresponding core nucleus have calculated transition energies which are almost identical over a large range in spin. 2 refs., figs.

Band-gap and sub-band-gap photoelectrochemical processes at nanocrystalline CdS grown on ZnO by successive ionic layer adsorption and reaction method

International Nuclear Information System (INIS)

Malashchonak, M.V.; Streltsov, E.A.; Mazanik, A.V.; Kulak, A.I.; Poznyak, S.K.; Stroyuk, O.L.; Kuchmiy, S.Ya.; Gaiduk, P.I.

2015-01-01

Cadmium sulfide nanoparticle (NP) deposition by the successive ionic layer adsorption and reaction (SILAR) method on the surface of mesoporous ZnO micro-platelets with a large specific surface area (110 ± 10 m 2 g −1 ) results in the formation of ZnO/CdS heterostructures exhibiting a high incident photon-to-current conversion efficiency (Y) not only within the region of CdS fundamental absorption (Y max = 90%; 0.1 M Na 2 S + 0.1 M Na 2 SO 3 ), but also in the sub-band-gap (SBG) range (Y max = 25%). The onset potentials of SBG photoelectrochemical processes are more positive than the band-gap (BG) onset potential by up to 100 mV. A maximum incident photon-to-current conversion efficiency value for SBG processes is observed at larger amount of deposited CdS in comparison with the case of BG ones. The Urbach energy (E U ) of CdS NPs determined from the photocurrent spectra reaches a maximal value on an early deposition stage (E U = 93 mV at SILAR cycle number N = 5), then lowers somewhat (E U = 73 mV at N = 10) and remains steady in the range of N from 20 to 300 (E U = 67 ± 1 mV). High efficiency of the photoelectrochemical SBG processes are interpreted in terms of light scattering in the ZnO/CdS heterostructures. - Highlights: • ZnO/CdS films demonstrate high quantum efficiency (25%) for sub-band-gap transitions. • Onset photocurrent potentials for sub-band-gap processes differ than those for band-gap ones. • Sub-band-gap transitions are caused by band-tail states in CdS nanoparticles

Band-gap and sub-band-gap photoelectrochemical processes at nanocrystalline CdS grown on ZnO by successive ionic layer adsorption and reaction method

Energy Technology Data Exchange (ETDEWEB)

Malashchonak, M.V., E-mail: che.malasche@gmail.com [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus); Streltsov, E.A., E-mail: streltea@bsu.by [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus); Mazanik, A.V. [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus); Kulak, A.I., E-mail: kulak@igic.bas-net.by [Institute of General and Inorganic Chemistry, National Academy of Sciences of Belarus, Surganova str., 9/1, Minsk 220072 (Belarus); Poznyak, S.K. [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus); Stroyuk, O.L., E-mail: stroyuk@inphyschem-nas.kiev.ua [L.V. Pysarzhevsky Institute of Physical Chemistry of National Academy of Sciences of Ukraine, 31 prosp. Nauky, 03028 Kyiv (Ukraine); Kuchmiy, S.Ya. [L.V. Pysarzhevsky Institute of Physical Chemistry of National Academy of Sciences of Ukraine, 31 prosp. Nauky, 03028 Kyiv (Ukraine); Gaiduk, P.I. [Belarusian State University, Nezalezhnastsi Av. 4, Minsk 220030 (Belarus)

2015-08-31

Cadmium sulfide nanoparticle (NP) deposition by the successive ionic layer adsorption and reaction (SILAR) method on the surface of mesoporous ZnO micro-platelets with a large specific surface area (110 ± 10 m{sup 2}g{sup −1}) results in the formation of ZnO/CdS heterostructures exhibiting a high incident photon-to-current conversion efficiency (Y) not only within the region of CdS fundamental absorption (Y{sub max} = 90%; 0.1 M Na{sub 2}S + 0.1 M Na{sub 2}SO{sub 3}), but also in the sub-band-gap (SBG) range (Y{sub max} = 25%). The onset potentials of SBG photoelectrochemical processes are more positive than the band-gap (BG) onset potential by up to 100 mV. A maximum incident photon-to-current conversion efficiency value for SBG processes is observed at larger amount of deposited CdS in comparison with the case of BG ones. The Urbach energy (E{sub U}) of CdS NPs determined from the photocurrent spectra reaches a maximal value on an early deposition stage (E{sub U} = 93 mV at SILAR cycle number N = 5), then lowers somewhat (E{sub U} = 73 mV at N = 10) and remains steady in the range of N from 20 to 300 (E{sub U} = 67 ± 1 mV). High efficiency of the photoelectrochemical SBG processes are interpreted in terms of light scattering in the ZnO/CdS heterostructures. - Highlights: • ZnO/CdS films demonstrate high quantum efficiency (25%) for sub-band-gap transitions. • Onset photocurrent potentials for sub-band-gap processes differ than those for band-gap ones. • Sub-band-gap transitions are caused by band-tail states in CdS nanoparticles.

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.

Evolution of E 2 transition strength in deformed hafnium isotopes from new measurements on 172Hf,174Hf, and 176Hf

Science.gov (United States)

Rudigier, M.; Nomura, K.; Dannhoff, M.; Gerst, R.-B.; Jolie, J.; Saed-Samii, N.; Stegemann, S.; Régis, J.-M.; Robledo, L. M.; Rodríguez-Guzmán, R.; Blazhev, A.; Fransen, Ch.; Warr, N.; Zell, K. O.

2015-04-01

Background: The available data for E 2 transition strengths in the region between neutron-deficient hafnium and platinum isotopes are far from complete. More and precise data are needed to enhance the picture of structure evolution in this region and to test state-of-the-art nuclear models. In a simple model, the maximum collectivity is expected at the middle of the major shell. However, for actual nuclei, particularly in heavy-mass regions, which should be highly complex, this picture may no longer be the case, and one should use a more realistic nuclear-structure model. We address this point by studying the spectroscopy of Hf as a representative case. Purpose: We remeasure the 21+ half-lives of 172,174,176Hf, for which there is some disagreement in the literature. The main goal is to measure, for the first time, the half-lives of higher-lying states of the rotational band. The new results are compared to a theoretical calculation for absolute transition strengths. Method: The half-lives were measured using γ -γ and conversion-electron-γ delayed coincidences with the fast timing method. For the determination of half-lives in the picosecond region, the generalized centroid difference method was applied. For the theoretical calculation of the spectroscopic properties, the interacting boson model is employed, whose Hamiltonian is determined based on microscopic energy-density functional calculations. Results: The measured 21+ half-lives disagree with results from earlier γ -γ fast timing measurements, but are in agreement with data from Coulomb excitation experiments and other methods. Half-lives of the 41+ and 61+ states were measured, as well as a lower limit for the 81+ states. Conclusions: This work shows the importance of a mass-dependent effective boson charge in the interacting boson model for the description of E 2 transition rates in chains of nuclei. It encourages further studies of the microscopic origin of this mass dependence. New experimental

Thermoreflectance characterization of beta-Ga2O3 thin-film nanostrips.

Science.gov (United States)

Ho, Ching-Hwa; Tseng, Chiao-Yeh; Tien, Li-Chia

2010-08-02

Nanostructure of beta-Ga(2)O(3) is wide-band-gap material with white-light-emission function because of its abundance in gap states. In this study, the gap states and near-band-edge transitions in beta-Ga(2)O(3) nanostrips have been characterized using temperature-dependent thermoreflectance (TR) measurements in the temperature range between 30 and 320 K. Photoluminescence (PL) measurements were carried to identify the gap-state transitions in the beta-Ga(2)O(3) nanostrips. Experimental analysis of the TR spectra revealed that the direct gap (E(0)) of beta-Ga(2)O(3) is 4.656 eV at 300 K. There are a lot of gap-state and near-band-edge (GSNBE) transitions denoted as E(D3), E(W1), E(W2), E(W3), E(D2), EDBex, E(DB), E(D1), E(0), and E(0)' can be detected in the TR and PL spectra at 30 K. Transition origins for the GSNBE features in the beta-Ga(2)O(3) nanostrips are respectively evaluated. Temperature dependences of transition energies of the GSNBE transitions in the beta-Ga(2)O(3) nanostrips are analyzed. The probable band scheme for the GSNBE transitions in the beta-Ga(2)O(3) nanostrips is constructed.

Change in the conversion rate for the E3-isomer sup(235m)U (76,8 eV; 1/2+ → 7/2-) at variation of configurations of the valence band of the atomic shell

International Nuclear Information System (INIS)

Grechukhin, D.P.; Soldatov, A.A.

1983-01-01

In the framework of the relativistic Hartree-Fock-Slater method, a change of the conversion rate lambda for the E3 isomer (at the transition energy of h/2πω=77 eV) with respect to the rate lambda for the normal configuration of uranium atom, (7ssup(1/2)sup(2)(6dsup(3/2))sup(1)(5fsup(5/2))sup(3), is calcUlated for 14 configurations of the valence band of the atomic shell, including considerable variations of the occupation numbers in 6d, 7s, and 5f orbits. A very strong change Δlambda/lambda 1 is found to be due to variation of the occupation number for the 5f orbit (ΔN(5f) not equal to 0); the change amounts to about 8% per ΔN(5f)=+-1, that is an order of magnitude higher than Δlambda/lambda 1 due to variations of the occupation numbers for other orbits in the cases where N(5f)=const. Though the direct contribution from the 5f electrons to the conversion is very small ( 1 for ΔN(5f) not equal to 0. A rigid correlation between the partial conversion rate and the r. m. s. radius of the orbit is obtained for 6p orbits

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

Science.gov (United States)

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

2014-05-14

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

Size-dependent and intra-band photoluminescence of NiS2 nano-alloys synthesized by microwave assisted hydrothermal technique

International Nuclear Information System (INIS)

Linganiso, Ella Cebisa; Mhlanga, Sabelo Dalton; Coville, Neil John; Mwakikunga, Bonex Wakufwa

2013-01-01

Graphical abstract: Unexpected ultra-violet (UV) emission as well as near infra-red (IR) emissions were attributed to intra-band energy state transitions that occur as a result of the porous structure of the material. Enhanced UV and near IR PL emissions due to the smaller crystallite size of the capped NiS 2 nanostructures was also observed. Band energy and local density of states calculation for NiS 2 were used to support the experimentally observed luminescence results. The luminescence features at wavelengths of 400 nm (3.10 eV), 428 nm (2.90 eV), 447 nm (2.77 eV) and 464 nm (2.67) can be attributed to some of those electrons de-exciting from S (3p) levels down to the Ni (3d) (blue to UV emission) whereas those features at wavelengths of 710 nm (1.75 eV), 751 nm (1.65 eV), 754 nm (1.64 eV) [NiS 2 /HDA-capped NiS 2 ] and 784 nm (1.58 eV) respectively seem to result from de-excitations between either Ni(3d) or S (3s, 3p) levels and Ni–S hybridization levels (red to near IR emission). Highlights: ► Rapid solid state alloying of Ni and S from their liquid state precursor by microwaves. ► New photoluminescence data of NiS 2 system. ► Unexpected luminescence in the UV–Visible and near IR ranges for such a metal matrix alloy. ► Explanation of NiS 2 photoluminescence from ab initio calculations by electronic energy band structure and density of states. -- Abstract: Synthesis of nickel disulfide (NiS 2 ) nano-alloys capped and uncapped with hexadecylamine (HDA) was carried out. A cubic phase NiS 2 formation was confirmed by X-ray diffraction (XRD) analysis. An average crystallite size of 35 nm was obtained for the uncapped nanostructures and 9 nm was obtained for the capped nanostructures estimated using the Scherrer equation. Unexpected ultra-violet (UV) emission as well as near infrared (IR) emissions were attributed to intra-band energy state transitions that occur as a result of the porous structure of the material. Enhanced UV and near IR PL emissions

Band head spin assignment of superdeformed bands in Hg isotopes through power index formula

Science.gov (United States)

Sharma, Honey; Mittal, H. M.

2018-05-01

The power index formula has been used to obtain the band head spin (I 0) of all the superdeformed (SD) bands in Hg isotopes. A least squares fitting approach is used. The root mean square deviations between the determined and the observed transition energies are calculated by extracting the model parameters using the power index formula. Whenever definite spins are available, the determined and the observed transition energies are in accordance with each other. The computed values of dynamic moment of inertia J (2) obtained by using the power index formula and its deviation with the rotational frequency is also studied. Excellent agreement is shown between the calculated and the experimental results for J (2) versus the rotational frequency. Hence, the power index formula works very well for all the SD bands in Hg isotopes expect for 195Hg(2, 3, 4).

Comprehensive picture of VO2 from band theory

KAUST Repository

Zhu, Zhiyong

2012-08-28

The structural, electronic, and magnetic features of the metal-insulator transition from the tetragonal rutile (R) to the monoclinic (M1) phase of VO2 are well reproduced by band theory using the modified Becke-Johnson exchange potential. Based on this description, we identify a tendency for monoclinic charge ordering in the R phase due to electronic correlations as the origin of the phase transition. Whereas, the structural changes are crucial for the gap opening in the M1 phase, spin degeneracy in both phases is stabilized by correlation-induced delocalization of the V3d electrons.

Comparison of the Giemsa C-banded and N-banded karyotypes of two Elymus species, E. dentatus and E. glaucescens (Poaceae; Triticeae)

DEFF Research Database (Denmark)

Linde-Laursen, I.; Seberg, O.; Salomon, B.

1994-01-01

The karyotypes of Elymus dentatus from Kashmir and E. glaucescens from Tierra del Fuego, both carrying genomes S and H, were investigated by C- and N-banding. Both taxa had 2n = 4x = 28. The karyotype of E. dentatus was symmetrical with large chromosomes. It had 18 metacentric, four submetacentric...

Lam\\'e polynomials, hyperelliptic reductions and Lam\\'e band structure

OpenAIRE

Maier, Robert S.

2003-01-01

The band structure of the Lam\\'e equation, viewed as a one-dimensional Schr\\"odinger equation with a periodic potential, is studied. At integer values of the degree parameter l, the dispersion relation is reduced to the l=1 dispersion relation, and a previously published l=2 dispersion relation is shown to be partially incorrect. The Hermite-Krichever Ansatz, which expresses Lam\\'e equation solutions in terms of l=1 solutions, is the chief tool. It is based on a projection from a genus-l hype...

Tunable diode laser measurement of self broadening versus temperature of five close ammonia transitions of the v{sub 2} band

Energy Technology Data Exchange (ETDEWEB)

Baldacchini, G; D` Amato, F [ENEA, Centro Ricerche Frascati, Rome (Italy). Dip. Innovazione; Buffa, G; Tarrini, O [Pisa Univ. (Italy). Dip. di Fisica; Ciucci, A

1995-08-01

Self broadening coefficients have been measured as a functional of temperature form 192 to 377 K for five transition lines of the band of ammonia. The results have been compared with theoretical calculations performed in the semiclassical impact approximation, and although one hot transition does not fit well in this scheme, there is in general a fairly good agreement. Moreover there is also an experimental and theoretical evidence against the commonly assumed power law for the temperature dependence. More measurements are needed to clarify the position of the hot transitions in this respect and to verify the extent of validity of the power law in general.

Visualizing band offsets and edge states in bilayer–monolayer transition metal dichalcogenides lateral heterojunction

KAUST Repository

Zhang, Chendong

2016-01-18

Semiconductor heterostructures are fundamental building blocks for many important device applications. The emergence of two-dimensional semiconductors opens up a new realm for creating heterostructures. As the bandgaps of transition metal dichalcogenides thin films have sensitive layer dependence, it is natural to create lateral heterojunctions (HJs) using the same materials with different thicknesses. Here we show the real space image of electronic structures across the bilayer–monolayer interface in MoSe2 and WSe2, using scanning tunnelling microscopy and spectroscopy. Most bilayer–monolayer HJs are found to have a zig-zag-orientated interface, and the band alignment of such atomically sharp HJs is of type-I with a well-defined interface mode that acts as a narrower-gap quantum wire. The ability to utilize such commonly existing thickness terraces as lateral HJs is a crucial addition to the tool set for device applications based on atomically thin transition metal dichalcogenides, with the advantage of easy and flexible implementation.

Vacuum instability, anomalous asymmetry effect, phase transition and band mixing in strongly deformed nuclei

International Nuclear Information System (INIS)

Lin, L.; Sperber, D.

1976-01-01

In two recent papers the instability of the quasi-particle vacuum was related to the high-spin anomaly in rotational nuclear states. The direct consequence of this fact is that the system will make a ''phase transition'' under that situation. Studying the induced rotational asymmetry effect, in the present paper another theoretical fact is discussed, which support this ''phase transition''. Furthermore, it is shown that when this ''phase transition'' occurs, in order to have a proper description of the system, a modification of the physical ground state is necessary which suggests a microscopic theory of band mixing for high spin anomaly in rotational nuclear states

Energy Levels and B(E2) transition rates in the Hartree-Fock approximation with the Skyrme force

International Nuclear Information System (INIS)

Oliveira, D.R. de; Mizrahi, S.S.

1976-11-01

The Hartree-Fock approximation with the Skyrme force is applied to the A = 4n type of nuclei in the s-d shell. Energy levels and electric quadrupole transition probabilities within the ground states band are calculated from the projected states of good angular momentum. Strong approximations are made but the results concerning the spectra are better than those obtained with more sophisticated density independent two-body interactions. The transition rates are less sensitive to the interaction, as previously verified

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.)

Band gap engineering strategy via polarization rotation in perovskite ferroelectrics

International Nuclear Information System (INIS)

Wang, Fenggong; Grinberg, Ilya; Rappe, Andrew M.

2014-01-01

We propose a strategy to engineer the band gaps of perovskite oxide ferroelectrics, supported by first principles calculations. We find that the band gaps of perovskites can be substantially reduced by as much as 1.2 eV through local rhombohedral-to-tetragonal structural transition. Furthermore, the strong polarization of the rhombohedral perovskite is largely preserved by its tetragonal counterpart. The B-cation off-center displacements and the resulting enhancement of the antibonding character in the conduction band give rise to the wider band gaps of the rhombohedral perovskites. The correlation between the structure, polarization orientation, and electronic structure lays a good foundation for understanding the physics of more complex perovskite solid solutions and provides a route for the design of photovoltaic perovskite ferroelectrics

MAPPING H-BAND SCATTERED LIGHT EMISSION IN THE MYSTERIOUS SR21 TRANSITIONAL DISK

International Nuclear Information System (INIS)

Follette, Katherine B.; Close, Laird; Tamura, Motohide; Hashimoto, Jun; Kwon, Jungmi; Kandori, Ryo; Whitney, Barbara; Grady, Carol; Andrews, Sean M.; Wisniewski, John; Brandt, Timothy D.; Dong, Ruobing; Mayama, Satoshi; Abe, Lyu; Brandner, Wolfgang; Feldt, Markus; Carson, Joseph; Currie, Thayne; Egner, Sebastian E.; Goto, Miwa

2013-01-01

We present the first near infrared (NIR) spatially resolved images of the circumstellar transitional disk around SR21. These images were obtained with the Subaru HiCIAO camera, adaptive optics, and the polarized differential imaging technique. We resolve the disk in scattered light at H-band for stellocentric 0.''1 ≤ r ≤ 0.''6 (12 ∼ –6 ) are inconsistent with our H-band images when they are assumed to carry over to small grains, suggesting that surface grains scattering in the NIR either survive or are generated by whatever mechanism is clearing the disk midplane. In fact, the radial polarized intensity profile of our H-band observations is smooth and steeply inwardly-increasing (r –3 ), with no evidence of a break at the 36 AU sub-mm cavity wall. We hypothesize that this profile is dominated by an optically thin disk envelope or atmosphere component. We also discuss the compatibility of our data with the previously postulated existence of a sub-stellar companion to SR21 at r ∼ 10-20 AU, and find that we can neither exclude nor verify this scenario. This study demonstrates the power of multiwavelength imaging of transitional disks to inform modeling efforts, including the debate over precisely what physical mechanism is responsible for clearing these disks of their large midplane grains.

Band-engineering of TiO2 as a wide-band gap semiconductor using organic chromophore dyes

Science.gov (United States)

Wahyuningsih, S.; Kartini, I.; Ramelan, A. H.; Saputri, L. N. M. Z.; Munawaroh, H.

2017-07-01

Bond-engineering as applied to semiconductor materials refers to the manipulation of the energy bands in order to control charge transfer processes in a device. When the device in question is a photoelectrochemical cell, the charges affected by drift become the focus of the study. The ideal band gap of semiconductors for enhancement of photocatalyst activity can be lowered to match with visible light absorption and the location of conduction Band (CB) should be raised to meet the reducing capacity. Otherwise, by the addition of the chromofor organic dyes, the wide-band gab can be influences by interacation resulting between TiO2 surface and the dyes. We have done the impruvisation wide-band gap of TiO2 by the addition of organic chromophore dye, and the addition of transition metal dopand. The TiO2 morphology influence the light absorption as well as the surface modification. The organic chromophore dye was syntesized by formation complexes compound of Co(PAR)(SiPA)(PAR)= 4-(2-piridylazoresorcinol), SiPA = Silyl propil amine). The result showed that the chromophore groups adsorbed onto TiO2 surface can increase the visible light absorption of wide-band gab semiconductor. Initial absorption of a chromophore will affect light penetration into the material surfaces. The use of photonic material as a solar cell shows this phenomenon clearly from the IPCE (incident photon to current conversion efficiency) measurement data. Organic chromophore dyes of Co(PAR)(SiPA) exhibited the long wavelength absorption character compared to the N719 dye (from Dyesol).

Radiative transition probabilities for the main diatomic electronic systems of N2, N2+, NO, O2, CO, CO+, CN, C2 and H2 produced in plasma of atmospheric entry

Science.gov (United States)

Qin, Z.; Zhao, J. M.; Liu, L. H.

2017-11-01

Accurate radiative transition probabilities of diatomic electronic systems are required to calculate the discrete radiation of plasmas. However, most of the published transition probabilities are obtained using older spectroscopic constants and electronic transition moment functions (ETMFs), some of which deviates greatly from experimental data. Fortunately, a lot of new spectroscopic constants that include more anharmonic correction terms than the earlier ones have been published over the past few years. In this work, the Einstein coefficients, Franck-Condon factors and absorption band oscillator strengths are calculated for important diatomic radiative transition processes of N2-O2, CO2-N2 and H2 plasmas produced in entering into the atmosphere of Earth, Mars and Jupiter. The most up-to-date spectroscopic constants are selected to reconstruct the potential energy curves by the Rydberg-Klein-Rees (RKR) method. Then the vibrational wave functions are calculated through the resolution of the radial Schrödinger equation for such potential energy curves. These results, together with the latest "ab-initio" ETMFs derived from the literature are used to compute the square of electronic-vibrational transition moments, Einstein coefficients and absorption band oscillator strengths. Moreover, the Franck-Condon factors are determined with the obtained vibrational wave functions. In the supplementary material we present tables of the radiative transition probabilities for 40 band systems of N2, N2+, NO, O2, CO, CO+, CN, C2 and H2 molecules. In addition, the calculated radiative lifetimes are systematically validated by available experimental results.

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.

BAND ALIGNMENT OF ULTRATHIN GIZO/SiO2/Si HETEROSTRUCTURE DETERMINED BY ELECTRON SPECTROSCOPY

Directory of Open Access Journals (Sweden)

Hee Jae Kang2

2011-11-01

Full Text Available Amorphous GaInZnO (GIZO thin films are grown on SiO2/Si substrate by the RF magnetron sputtering method. By thecombination of measured band gaps from reflection energy loss spectroscopy (REELS spectra and valence band fromX-ray photo-electron spectroscopy (XPS spectra, we have demonstrated the energy band alignment of GIZO thin films.The band gap values are 3.2 eV, 3.2 eV, 3.4eV and 3.6eV for the concentration ratios of Ga: In: Zn in GIZO thin filmsare 1:1:1, 2:2:1, 3:2:1 and 4:2:1, respectively. These are attributed to the larger band gap energy of Ga2O3 comparedwith In2O3 and ZnO. The valence band offsets (ΔEv decrease from 2.18 to 1.68 eV with increasing amount of Ga inGIZO thin films for GIZO1 to GIZO4, respectively. These experimental values of band gap and valence band offsetwill provide the further understanding in the fundamental properties of GIZO/SiO2/Si heterostructure, which will beuseful in the design, modeling and analysis of the performance devices applications.

Effect of superconductivity on the cubic to tetragonal structural transition due to a two-fold degenerate electronic band

International Nuclear Information System (INIS)

Ghatak, S.K.; Khanra, B.C.; Ray, D.K.

1978-01-01

The effect of the BCS superconductivity on the cubic to tetragonal structural transition arising from a two-fold degenerate electronic band is investigated within the mean field approximation. The phase diagram of the two transitions is given for a half filled esub(g)-band. Modification of the two transitions when they are close together is also discussed. (author)

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)

Absolute Transition Probabilities from the 453.1 keV Level in 183W

International Nuclear Information System (INIS)

Malmskog, S.G.

1966-10-01

The half life of the 453.1 keV level in 183 W has been measured by the delayed coincidence method to 18.4 ± 0.5 nsec. This determines twelve absolute M1 and E2 transition probabilities, out of which nine are K-forbidden. All transition probabilities are compared with the single particle estimate. The three K-allowed E2, ΔK = 2 transition rates to the 1/2 - (510) rotational band are furthermore compared with the Nilsson model. An attempt to give a quantitative explanation of the observed transition rates has been made by including the effects from admixtures into the single particle wave functions

On the Mott transition and the new metal-insulator transitions in doped covalent and polar crystals

International Nuclear Information System (INIS)

Dzhumanov, S.; Begimkulov, U.; Kurbanov, U.T.; Yavidov, B.Y.

2001-10-01

The Mott transition and new metal-insulator transitions (MIT's) and their distinctive features in doped covalent semiconductors and polar compounds are studied within the continuum model of extrinsic carrier self-trapping, the Hubbard impurity band model (with on-site Coulomb repulsion and screening effects) and the extrinsic (bi)polaronic band model (with short- and long-range carrier-impurity, impurity-phonon and carrier-phonon interactions and intercarrier correlation) using the appropriate tight-binding approximations and variational methods. We have shown the formation possibility of large-radius localized one- and two-carrier impurity (or defect) states and narrow impurity bands in the band gap and charge transfer gap of these carrier-doped systems. The extrinsic Mott-Hubbard and (bi)polaronic insulating gaps are calculated exactly. The proper criterions for Mott transition, extrinsic excitonic and (bi)polaronic MIT's are obtained. We have demonstrated that the Mott transition occurs in doped covalent semiconductors (i.e. Si and Ge) and some insulators with weak carrier-phonon coupling near the large-radius dopants. While, in doped polar compounds (e.g. oxide high-T c superconductors (HTSC) and related materials) the MIT's are new extrinsic (or intrinsic) (bi)polaronic MIT's. We have found that the anisotropy of the dielectric (or (bi)polaronic) properties of doped cuprate HTSC is responsible for smooth (or continuous) MIT's, stripe formation and suppression of high-T c superconductivity. Various experimental results on in-gap states, bands and MIT's in doped covalent semiconductors, oxide HTSC and related materials are in good agreement with the developed theory of Mott transition and new (bi)polaronic MIT's. (author)

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.

Quantum phase transition in the U(4) vibron model and the E(3) symmetry

International Nuclear Information System (INIS)

Zhang Yu; Hou Zhanfeng; Chen Huan; Wei Haiqing; Liu Yuxin

2008-01-01

We study the details of the U(3)-O(4) quantum phase transition in the U(4) vibron model. Both asymptotic analysis in the classical limit and rigorous calculations for finite boson number systems indicate that a second-order phase transition is still there even for the systems with boson number N ranging from tens to hundreds. Two kinds of effective order parameters, including E1 transition ratios B(E1:2 1 →1 1 )/B(E1:1 1 →0 1 ) and B(E1:0 2 →1 1 )/B(E1:1 1 →0 1 ), and the energy ratios E 2 1 /E 0 2 and E 3 1 /E 0 2 are proposed to identify the second-order phase transition in experiments. We also found that the critical point of phase transition can be approximately described by the E(3) symmetry, which persists even for moderate N∼10 protected by the scaling behaviors of quantities at the critical point. In addition, a possible empirical example exhibiting roughly the E(3) symmetry is discussed

77 FR 5252 - Federal Travel Regulation; GSA E-Gov Travel Service (ETS) Transition to E-Gov Travel Service 2...

Science.gov (United States)

2012-02-02

... Travel Regulation; GSA E-Gov Travel Service (ETS) Transition to E-Gov Travel Service 2 (ETS2) AGENCY..., ETS Program Manager Center for Travel Management (QMCD), Office of Travel and Transportation Services (QMC), at [email protected] or (703) 605-2151. SUPPLEMENTARY INFORMATION: The Federal Travel...

Behavior of the excited deformed band and search for shape isomerism in 184Hg

International Nuclear Information System (INIS)

Cole, J.D.; Hamilton, J.H.; Ramayya, A.V.; Nettles, W.G.; Kawakami, H.; Spejewski, E.H.; Ijaz, M.A.; Toth, K.S.; Robinson, E.L.; Sastry, K.S.R.; Lin, J.; Avignone, F.T.; Brantley, W.H.; Rao, P.V.G.

1976-01-01

The new isotope 184 Tl has been identified with T 1 / 2 =11 +- 1 sec and the levels in 184 Hg investigated from its decay. The 0 + band head of a deformed band was found to drop to 375 keV in agreement with theoretical predictions. The mean life of the 375-keV 0 + level was measured to be 0.9 +- 0.3 nsec which is a factor of 10 faster than theoretically predicted for a shape-isomeric E2 transition

E2 and M1 transition strengths in heavy deformed nuclei revisited

International Nuclear Information System (INIS)

Draayer, J.P.; Popa, G.; Hirsch, J.G.; Vargas, C.E.

2003-01-01

An update on the status of pseudo-SU(3) shell-model calculations in strongly deformed nuclei in the rare earth region is presented. Representative results for energy levels as well as E2 (quadrupole) and M1 (scissors) transitions strengths in 162 Dy (even-even) and 163 Dy (odd-mass) are given. The calculations use realistic single-particle energies and quadrupole-quadrupole and pairing interaction strengths fixed from systematics. The strengths of rotor-like terms included in the Hamiltonian- all small relative to the other terms in the interaction were adjusted to give an overall best fit to the energy spectra. The results present a paradox: for even-even nuclei (integer angular momentum) non-zero pseudo-spin configurations seems to be unimportant while for the odd-mass systems (half-integer angular momentum) pseudo-spin mixing is essential as spin-flip couplings appear to dominate the M1 transition strengths. (Author)

Study on electromagnetic constants of rotational bands

International Nuclear Information System (INIS)

Abdurazakov, A.A.; Adib, Yu.Sh.; Karakhodzhaev, A.K.

1991-01-01

Values of electromagnetic constant S and rotation bands of odd nuclei with Z=64-70 within the mass number change interval A=153-173 are determined. Values of γ-transition mixing parameter with M1+E2 multipolarity are presented. ρ parameter dependence on mass number A is discussed

Band-gap narrowing of TiO2 films induced by N-doping

International Nuclear Information System (INIS)

Nakano, Y.; Morikawa, T.; Ohwaki, T.; Taga, Y.

2006-01-01

N-doped TiO 2 films were deposited on n + -GaN/Al 2 O 3 substrates by reactive magnetron sputtering and subsequently crystallized by annealing at 550 o C in flowing N 2 gas. The N-doping concentration was ∼8.8%, as determined from X-ray photoelectron spectroscopy measurements. Deep-level optical spectroscopy measurements revealed two characteristic deep levels located at 1.18 and 2.48 eV below the conduction band. The 1.18 eV level is probably attributable to the O vacancy state and can be active as an efficient generation-recombination center. Additionally, the 2.48 eV band is newly introduced by the N-doping and contributes to band-gap narrowing by mixing with the O 2p valence band

Observation of reduced phase transition temperature in N-doped thermochromic film of monoclinic VO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Wan, Meinan; Xiong, Mo [State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Wuhan 430070 (China); Li, Neng, E-mail: lineng@whut.edu.cn [State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Wuhan 430070 (China); Liu, Baoshun; Wang, Shuo [State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Wuhan 430070 (China); Ching, Wai-Yim [Department of Physics and Astronomy, University of Missouri-Kansas City, Kansas City, MO 64110 (United States); Zhao, Xiujian, E-mail: opluse@whut.edu.cn [State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Wuhan 430070 (China)

2017-07-15

Highlights: • N-doped VO{sub 2}(M1) thin films have been synthesized by annealing in NH{sub 3} atmosphere. • The phase purity, microstructure and optical property of VO{sub 2} thin film can be regulated by NH{sub 3} concentration. • First-principles calculations have been carried out to study the mechanism of N-doping on energy band structures of VO{sub 2}(M1). • The energy band gaps of VO{sub 2}(M1) are tuned by substitution N-doping or interstitial N-doping. - Abstract: Research on monoclinic (M1) phase of VO{sub 2} has attracted a great of interest for smart coating applications due to its exceptional thermochromic property. Herein, we report the results using a novel approach to synthesize N-doped VO{sub 2}(M1) thin films with high purity by heat treatment in NH{sub 3} atmosphere. The N dopant in the film can be regulated by varying NH{sub 3} concentration during the annealing process. We find that the N atoms are located at the interstitial sites or substitute oxygen atoms, and the V-N bonds in the VO{sub 2} thin films increase with NH{sub 3} concentration. The metal to insulator transition (MIT) temperature (τ{sub c,h}) of the VO{sub 2} thin film is effectively reduced from 80.0 to 62.9 °C, while the solar modulation efficiency (ΔT{sub sol}) and the modulation efficiency at 2000 nm (ΔT{sub 2000nm}) are 7.36% and 55.6% respectively. The band gap of N-doped VO{sub 2} thin films related to MIT (E{sub g1}) is estimated to be as low as 0.18–0.25 eV whereas the band gap associated with the visible transparency (E{sub g2}) is about 1.50–1.58 eV. Based on the highly accurate first-principles calculations, the E{sub g1} of VO{sub 2} (M1) is reduced after substituted or interstitial N-doping, while the E{sub g2} alters with the mode of N-doping, which is excellent agreement with experimental measurement.

Pressure dependence of glass transition in As2Te3 glass.

Science.gov (United States)

Ramesh, K

2014-07-24

Amorphous solids prepared from their melt state exhibit glass transition phenomenon upon heating. Viscosity, specific heat, and thermal expansion coefficient of the amorphous solids show rapid changes at the glass transition temperature (Tg). Generally, application of high pressure increases the Tg and this increase (a positive dT(g)/dP) has been understood adequately with free volume and entropy models which are purely thermodynamic in origin. In this study, the electrical resistivity of semiconducting As(2)Te(3) glass at high pressures as a function of temperature has been measured in a Bridgman anvil apparatus. Electrical resistivity showed a pronounced change at Tg. The Tg estimated from the slope change in the resistivity-temperature plot shows a decreasing trend (negative dT(g)/dP). The dT(g)/dP was found to be -2.36 °C/kbar for a linear fit and -2.99 °C/kbar for a polynomial fit in the pressure range 1 bar to 9 kbar. Chalcogenide glasses like Se, As(2)Se(3), and As(30)Se(30)Te(40) show a positive dT(g)/dP which is very well understood in terms of the thermodynamic models. The negative dT(g)/dP (which is generally uncommon in liquids) observed for As(2)Te(3) glass is against the predictions of the thermodynamic models. The Adam-Gibbs model of viscosity suggests a direct relationship between the isothermal pressure derivative of viscosity and the relaxational expansion coefficient. When the sign of the thermal expansion coefficient is negative, dT(g)/dP = Δk/Δα will be less than zero, which can result in a negative dT(g)/dP. In general, chalcogenides rich in tellurium show a negative thermal expansion coefficient (NTE) in the supercooled and stable liquid states. Hence, the negative dT(g)/dP observed in this study can be understood on the basis of the Adams-Gibbs model. An electronic model proposed by deNeufville and Rockstad finds a linear relation between Tg and the optical band gap (Eg) for covalent semiconducting glasses when they are grouped

A new role for E12/E47 in the repression of E-cadherin expression and epithelial-mesenchymal transitions

DEFF Research Database (Denmark)

Perez-Moreno, M A; Locascio, A; Rodrigo, I

2001-01-01

Down-regulation of E-cadherin expression is a determinant of tumor cell invasiveness, an event frequently associated with epithelial-mesenchymal transitions. Here we show that the mouse E12/E47 basic helix-loop-helix transcription factor (the E2A gene product) acts as a repressor of E-cadherin ex......Down-regulation of E-cadherin expression is a determinant of tumor cell invasiveness, an event frequently associated with epithelial-mesenchymal transitions. Here we show that the mouse E12/E47 basic helix-loop-helix transcription factor (the E2A gene product) acts as a repressor of E...

CO2-, He- and H2-broadening coefficients of SO2 for ν1 band and ground state transitions for astrophysical applications

Science.gov (United States)

Ceselin, Giorgia; Tasinato, Nicola; Puzzarini, Cristina; Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi

2017-12-01

The discovery of the Universe and of the interstellar medium (ISM) is based on the knowledge of the molecules that are present in those places. Most of our understanding about the composition of the ISM and planetary atmospheres has been made possible almost entirely thanks to spectroscopic observations. Sulfur dioxide, SO2, is one of the about 200 molecules that have been detected in the ISM or circumstellar shells. In addition to its astrophysical relevance, SO2 has a proved role in the Earth's atmosphere. It origins from biomass burning and volcanic eruptions and directly enters in the sulfur cycle. In this work high-resolution tunable diode laser (TDL) infrared (IR) spectroscopy and mm-/sub-mm wave spectroscopy are exploited to retrieve the broadening parameters of sulfur dioxide perturbed by H2, He and CO2. IR measurements are carried out for ν1 band transitions around 9 μm by using He and CO2 as damping gases. As far as the vibrational ground state is concerned, about 20 rotational transitions are analyzed by means of the speed dependent Voigt profile to retrieve H2- and He-broadening coefficients. From the experimental results some conclusions about the quantum number dependence of the H2-, CO2- and He-collisional cross sections are drawn. Both IR and MW experiments highlight a very weak dependence of He broadening parameters on the Ka and J rotational quantum numbers. In a similar way, also SO2-H2 broadening coefficients show a negligible dependence on the rotational quantum numbers. Conversely, when CO2 is employed as perturbing species, the observed collisional cross sections tend to decrease with increasing Ka values and to increase against J, at least over the range of quantum numbers considered. The present results provide the first systematic determination of line-by-line SO2-CO2 broadening coefficients and they are of relevance to increase the potential use of spectroscopic databases for astronomical applications.

Weak transitions in the quasi-elastic reaction 12C(e,e'p)11B

International Nuclear Information System (INIS)

Steenhoven, G. van der; Blok, H.P.; Vrije Univ., Amsterdam; Jans, E.; Lapikas, L.; Quint, E.N.M.; Witt Huberts, P.K.A. de

1988-01-01

In a high-resolution quasi-elastic 12 C(e,e'p) 11 B experiment several weak transitions have been observed to excited final states with spin and parity characteristic of direct knockout from orbitals above the 1p shell. The momentum distributions, which have been measured in parallel kinematics at an outgoing-proton energy of 70 MeV in the range of missing momentum - 170 ≤ p m ≤ 210 MeV/c, show the shape expected for a single-step knockout process. It is demonstrated that the interference between a direct-knockout process and a two-step process leading to the same final state in the (e,e'p) reaction may cause important modifications of the deduced spectroscopic factors. Explicit coupled-channels (CC) calculations show that the spectroscopic factor for the transition to the 7 - /2 state at 6.743 MeV is reduced by a factor of 6, whereas the spectroscopic factors of the other weak transitions observed in the present experiment are uncertain by a factor of 2 due to CC-effects. Since the strength of these transitions is larger than can be explained by a pure two-step process, we interpret the observation of these transitions as direct evidence for the existence of ground-state correlations in 12 C. The total spectroscopic strength in the E x region between 6 and 12 MeV amounts to 0.1, or 4.1% of the observed strength for 1p knockout in the low E x region. Two peaks have been identified in the missing-energy spectrum that hitherto have not been reported: A narrow peak at E x =9.82 (3) MeV with an l=0 character and a broad structure centered at about 11.5 MeV with an l=1 character. The missing-energy spectrum between E x =12 and 24 MeV corresponding to 1s 1/2 knockout has also been analyzed. The deduced momentum distribution shows evidence for the onset of a two-nucleon mechanism beyond the two-particle emission threshold. (orig.)

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 .

Resonant enhancement of band-to-band tunneling in in-plane MoS2/WS2 heterojunctions

Science.gov (United States)

Kuroda, Tatsuya; Mori, Nobuya

2018-04-01

The band-to-band (BTB) tunneling current J through in-plane MoS2/WS2 heterojunctions is calculated by the nonequilibrium Green function method combined with tight-binding approximation. Types A and B of band configurations are considered. For type-A (type-B) heterojunctions, a potential notch exists (or is absent) at the heterointerface. Both type-A and type-B MoS2/WS2 heterojunctions can support a higher BTB current than MoS2 and WS2 homojunctions. For type-A heterojunctions, the resonant enhancement of J occurs resulting in a significantly higher BTB tunneling current.

E3-transitions in sup(105, 107, 109, 111)Ag

International Nuclear Information System (INIS)

Shevelev, G.A.; Troitskaya, A.G.; Kartashov, V.M.

1978-01-01

Electron radiation of the isomeric transitions of the sup(105-111)Ag odd nuclei was studied using an iron magnetic πsup(√2) beta spectrometer. For most isomeric transitions, relative intensities of the K, L, M, and N lines have been measured; for sup(105-111)Ag and 111 Cd they were measured for the first time. Energy of gamma transitions, relative intensities of internal conversion electrons (ICE) compared with the theoretical ICE values for the E3 transitions are presented. The observations for all the shells are in a fairly gool agreement with the calculations. Systematics of low-lying excited states of the silver nuclei involved is proposed. It has been established that spins and parities of the first excited states of the sup(105-111)Ag odd nuclei are 7/2 + . Multipolarities of isomeric transitions from these staes are pure E3. Spin and parity 9/2 + of the second excited states may be uniquely determined unly for 109 Ag from direct measurements of the ICE transition at 45.8 keV

Note: Cold spectra of the electronic transition A{sup 2}Σ{sup +}-X{sup 2}Π of N{sub 2}O{sup +} radical: High resolution analysis of the bands 000-100, 100-100, and 001-101

Energy Technology Data Exchange (ETDEWEB)

Lessa, L. L.; Martins, A. S.; Fellows, C. E., E-mail: fellows@if.uff.br [Departamento de Física, Instituto de Ciências Exatas–ICEx, Universidade Federal Fluminense, Campus do Aterrado, Volta Redonda, RJ 27213-415 (Brazil)

2015-10-28

In this note, three vibrational bands of the electronic transition A{sup 2}Σ{sup +}-X{sup 2}Π of the N{sub 2}O{sup +} radical (000-100, 100-100, and 001-101) were theoretically analysed. Starting from Hamiltonian models proposed for this kind of molecule, their parameters were calculated using a Levenberg-Marquardt fit procedure in order to reduce the root mean square deviation from the experimental transitions below to 0.01 cm{sup −1}. The main objective of this work is to obtain new and reliable values for rotational constant B″ and the spin-orbit interaction parameter A of the analysed vibrational levels of the X{sup 2}Π electronic state of this molecule.

Absolute Transition Probabilities from the 453.1 keV Level in {sup 183}W

Energy Technology Data Exchange (ETDEWEB)

Malmskog, S G

1966-10-15

The half life of the 453.1 keV level in {sup 183}W has been measured by the delayed coincidence method to 18.4 {+-} 0.5 nsec. This determines twelve absolute M1 and E2 transition probabilities, out of which nine are K-forbidden. All transition probabilities are compared with the single particle estimate. The three K-allowed E2, {delta}K = 2 transition rates to the 1/2{sup -} (510) rotational band are furthermore compared with the Nilsson model. An attempt to give a quantitative explanation of the observed transition rates has been made by including the effects from admixtures into the single particle wave functions.

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)

Suppression of the asymmetric competition mode in the relativistic Ku-band coaxial transit-time oscillator

Energy Technology Data Exchange (ETDEWEB)

Ling, Junpu; He, Juntao; Zhang, Jiande; Jiang, Tao; Wang, Lei [College of Optoelectronic Science and Engineering, National University of Defense Technology, Changsha 410073 (China)

2014-10-15

A relativistic Ku-band coaxial transit-time oscillator has been proposed in our previous work. In the experiments, we find that the asymmetric competition mode in the device limits the microwave power with the increase of the input electric power. For solving such a problem, the methods for analysis and suppression of the asymmetric competition mode in the device are investigated theoretically and experimentally. It is shown that the structure and the material of the collector, the concentricity, and the electron emission uniformity play an important part in the suppression of the asymmetric competition mode in the relativistic Ku-band transit-time oscillator. In the subsequent experiments, the asymmetric mode was suppressed effectively. At a low guiding magnetic field of 0.7 T, a microwave pulse with power of 1 GW, frequency of 14.3 GHz close to the simulation one, and efficiency of 20% was generated.

Rett Syndrome Mutant Neural Cells Lacks MeCP2 Immunoreactive Bands.

Directory of Open Access Journals (Sweden)

Carlos Bueno

Full Text Available Dysfunctions of MeCP2 protein lead to various neurological disorders such as Rett syndrome and Autism. The exact functions of MeCP2 protein is still far from clear. At a molecular level, there exist contradictory data. MeCP2 protein is considered a single immunoreactive band around 75 kDa by western-blot analysis but several reports have revealed the existence of multiple MeCP2 immunoreactive bands above and below the level where MeCP2 is expected. MeCP2 immunoreactive bands have been interpreted in different ways. Some researchers suggest that multiple MeCP2 immunoreactive bands are unidentified proteins that cross-react with the MeCP2 antibody or degradation product of MeCP2, while others suggest that MeCP2 post-transcriptional processing generates multiple molecular forms linked to cell signaling, but so far they have not been properly analyzed in relation to Rett syndrome experimental models. The purpose of this study is to advance understanding of multiple MeCP2 immunoreactive bands in control neural cells and p.T158M MeCP2e1 mutant cells. We have generated stable wild-type and p.T158M MeCP2e1-RFP mutant expressing cells. Application of N- and C- terminal MeCP2 antibodies, and also, RFP antibody minimized concerns about nonspecific cross-reactivity, since they react with the same antigen at different epitopes. We report the existence of multiple MeCP2 immunoreactive bands in control cells, stable wild-type and p.T158M MeCP2e1-RFP mutant expressing cells. Also, MeCP2 immunoreactive bands differences were found between wild-type and p.T158M MeCP2e1-RFP mutant expressing cells. Slower migration phosphorylated band around 70kDa disappeared in p.T158M MeCP2e1-RFP mutant expressing cells. These data suggest that threonine 158 could represent an important phosphorylation site potentially involved in protein function. Our results clearly indicate that MeCP2 antibodies have no cross-reactivity with similar epitopes on others proteins, supporting the

Metal-insulator phase transition in a VO2 thin film observed with terahertz spectroscopy

DEFF Research Database (Denmark)

Jepsen, Peter Uhd; Fischer, Bernd M.; Thoman, Andreas

2006-01-01

We investigate the dielectric properties of a thin VO2 film in the terahertz frequency range in the vicinity of the semiconductor-metal phase transition. Phase-sensitive broadband spectroscopy in the frequency region below the phonon bands of VO2 gives insight into the conductive properties...... of the film during the phase transition. We compare our experimental data with models proposed for the evolution of the phase transition. The experimental data show that the phase transition occurs via the gradual growth of metallic domains in the film, and that the dielectric properties of the film...

Series of topological phase transitions in TiTe2 under strain

KAUST Repository

Zhang, Qingyun

2013-10-21

First-principles calculations are performed to investigate the topological properties of TiTe2 under hydrostatic pressure, uniaxial strain, and biaxial strain. It is found that the system is unusually accessible to strain effects and the first compound that under hydrostatic pressure (up to experimentally reasonable 30 GPa) is subject to a series of four topological phase transitions, which are related to band inversions at different points of the Brillouin zone. Therefore, TiTe2 enables experimental access to all these transitions in a single compound.

Series of topological phase transitions in TiTe2 under strain

KAUST Repository

Zhang, Qingyun; Cheng, Yingchun; Schwingenschlö gl, Udo

2013-01-01

First-principles calculations are performed to investigate the topological properties of TiTe2 under hydrostatic pressure, uniaxial strain, and biaxial strain. It is found that the system is unusually accessible to strain effects and the first compound that under hydrostatic pressure (up to experimentally reasonable 30 GPa) is subject to a series of four topological phase transitions, which are related to band inversions at different points of the Brillouin zone. Therefore, TiTe2 enables experimental access to all these transitions in a single compound.

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

Excitons and continuum transitions of rubidium halides in the 10 - 26 eV photon energy range at low temperatures

International Nuclear Information System (INIS)

Zierau, W.; Skibowski, M.

1975-04-01

The reflection spectra of RbCl, RbBr and RbI single crystals were investigated for temperatures between 300 K and 8 K in order to study excitations from the Rb + 4p level (> approximately 16 eV) as well as the higher continuum transitions from the valence band (> approximately 10 eV). The measurements were performed by use of the synchrotron radiation of DESY. The sensitivity for detecting details of the fine structure was increased by simultaneously measuring the wavelength modulated spectra. The experimental procedure is briefly described. New spectral features have been resolved for the exciton multiplets from the Rb + 4p level. They are discussed in light of the predictions of a recent model for the Rb + 4p excitons based on ligand field theory. The continuum transitions associated with the valence band and the Rb + 4p level show characteristic structure which is compared with calculations of the joint density of states. (orig.) [de

Determining rotational temperatures from the OH(8-3 band, and a comparison with OH(6-2 rotational temperatures at Davis, Antarctica

Directory of Open Access Journals (Sweden)

F. Phillips

2004-04-01

Full Text Available Rotational temperatures derived from the OH(8–3 band may vary by ~18K depending on the choice of transition probabilities. This is of concern when absolute temperatures or trends determined in combination with measurements of other hydroxyl bands are important. In this paper, measurements of the OH(8–3 temperature-insensitive Q/P and R/P line intensity ratios are used to select the most appropriate transition probabilities for use with this band. Aurora, airglow and solar and telluric absorption in the OH(8–3 band are also investigated. Water vapour absorption of P₁(4, airglow or auroral contamination of P₁(2 and solar absorption in the vicinity of P₁(5 are concerns to be considered when deriving rotational temperatures from this band.

A comparison is made of temperatures derived from OH(6–2 and OH(8–3 spectra collected alternately at Davis (69° S, 78° E in 1990. An average difference of ~4K is found, with OH(8–3 temperatures being warmer, but a difference of this magnitude is within the two sigma uncertainty limit of the measurements.

Key words. Atmospheric composition and structure airglow and aurora; pressure, density, and temperature

The decay-out of superdeformed bands in the A = 190 region. What have we learned?

International Nuclear Information System (INIS)

Lauritsen, T.; Hackman, G.; Khoo, T.L.; Carpenter, M.P.; Janssens, R.V.F.; Ackermann, D.; Ahmad, I.; Blumenthal, D.J.; Lopez-Martens, A.

1997-01-01

One-step decay transitions linking the superdeformed (SD) bands 1 and 3 in 194 Hg to yrast levels are discussed. Inter-band transitions between bands 1 and 3 have also been identified. For the first time, the spin, parity and excitation energy have been determined for two SD bands in the same nucleus. The low excitation energy of the excited band supports the view that it is based on an octupole excitation. It is believed that Porter-Thomas fluctuations play a major role in determining the strength of the one-step transitions as suggested by the fact that only one other SD band has been linked in the A = 190 mass region ( 194 Pb) at the present time. When Porter-Thomas fluctuations prevent the observation of one-step or two-step linking transitions, as e.g. in the case of 192 Hg, the analysis of the quasi-continuous part of the decay-out spectrum provides an alternative method for the determination of the excitation energy and spin of an SD band. This method is discussed in detail. (author)

Size-dependent and intra-band photoluminescence of NiS{sub 2} nano-alloys synthesized by microwave assisted hydrothermal technique

Energy Technology Data Exchange (ETDEWEB)

Linganiso, Ella Cebisa [DST/CSIR National Centre for Nano-Structured Materials, Council for Scientific and Industrial Research, P.O. Box 395, Pretoria 0001 (South Africa); Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Private Bag 3, Johannesburg, Wits 2050 (South Africa); Mhlanga, Sabelo Dalton; Coville, Neil John [Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Private Bag 3, Johannesburg, Wits 2050 (South Africa); DST/NRF Centre of Excellence in Strong Materials, University of the Witwatersrand, Private Bag 3, Johannesburg, Wits 2050 (South Africa); Mwakikunga, Bonex Wakufwa, E-mail: bmwakikunga@csir.co.za [DST/CSIR National Centre for Nano-Structured Materials, Council for Scientific and Industrial Research, P.O. Box 395, Pretoria 0001 (South Africa); Department of Physics and Biochemical Sciences, University of Malawi, The Polytechnic, Private Bag 303, Chichiri, Blantyre 3 (Malawi)

2013-03-05

Graphical abstract: Unexpected ultra-violet (UV) emission as well as near infra-red (IR) emissions were attributed to intra-band energy state transitions that occur as a result of the porous structure of the material. Enhanced UV and near IR PL emissions due to the smaller crystallite size of the capped NiS{sub 2} nanostructures was also observed. Band energy and local density of states calculation for NiS{sub 2} were used to support the experimentally observed luminescence results. The luminescence features at wavelengths of 400 nm (3.10 eV), 428 nm (2.90 eV), 447 nm (2.77 eV) and 464 nm (2.67) can be attributed to some of those electrons de-exciting from S (3p) levels down to the Ni (3d) (blue to UV emission) whereas those features at wavelengths of 710 nm (1.75 eV), 751 nm (1.65 eV), 754 nm (1.64 eV) [NiS{sub 2}/HDA-capped NiS{sub 2}] and 784 nm (1.58 eV) respectively seem to result from de-excitations between either Ni(3d) or S (3s, 3p) levels and Ni–S hybridization levels (red to near IR emission). Highlights: ► Rapid solid state alloying of Ni and S from their liquid state precursor by microwaves. ► New photoluminescence data of NiS{sub 2} system. ► Unexpected luminescence in the UV–Visible and near IR ranges for such a metal matrix alloy. ► Explanation of NiS{sub 2} photoluminescence from ab initio calculations by electronic energy band structure and density of states. -- Abstract: Synthesis of nickel disulfide (NiS{sub 2}) nano-alloys capped and uncapped with hexadecylamine (HDA) was carried out. A cubic phase NiS{sub 2} formation was confirmed by X-ray diffraction (XRD) analysis. An average crystallite size of 35 nm was obtained for the uncapped nanostructures and 9 nm was obtained for the capped nanostructures estimated using the Scherrer equation. Unexpected ultra-violet (UV) emission as well as near infrared (IR) emissions were attributed to intra-band energy state transitions that occur as a result of the porous structure of the material

Exotic superdeformed structure in A∼190 nuclei observed using Eurogam2

International Nuclear Information System (INIS)

Wilson, A.N.; Timar, J.; Bergstroem, M.; Paul, E.S.; Bouneau, S.; Azaiez, F.; Korichi, A.; Nakatsukasa, T.

1995-01-01

Dipole transitions between superdeformed rotational bands are only very rarely observed due to the competition from the very strong in-band E2 decays. We have carried out two experiments with the EUROGAM2 γ-ray spectrometer, situated at the Vivitron tandem accelerator at CRN Strasbourg, in September and October 1994. In the first experiment we observe M1 dipole transitions between the signature partner yrast superdeformed bands in 193 Tl. This measurement gives a mean value of (g K -g R ) K/Q o = 0.135 ± 0.010 μ N /eb identifying the bands as belonging to the (642)5/2 single particle orbital. We also observe 5 additional new superdeformed bands in 193 Tl, whose structures are discussed. In the second experiment we observe three transitions, at 911, 865 and 831 keV, which link an excited superdeformed band in 190 Hg to the yrast superdeformed band. The data suggest that these are stretched dipole transitions with E1 multipolarity and strengths of about 10 -3 Wu. This is the first observation of a collective vibration of the superdeformed mean field. We also observe two new superdeformed bands in 190 Hg. (authors). 39 refs., 11 figs., 3 tabs

Accidental degeneracy in photonic bands and topological phase transitions in two-dimensional core-shell dielectric photonic crystals.

Science.gov (United States)

Xu, Lin; Wang, Hai-Xiao; Xu, Ya-Dong; Chen, Huan-Yang; Jiang, Jian-Hua

2016-08-08

A simple core-shell two-dimensional photonic crystal is studied where the triangular lattice symmetry and the C6 point group symmetry give rich physics in accidental touching points of photonic bands. We systematically evaluate different types of accidental nodal points at the Brillouin zone center for transverse-magnetic harmonic modes when the geometry and permittivity of the core-shell material are continuously tuned. The accidental nodal points can have different dispersions and topological properties (i.e., Berry phases). These accidental nodal points can be the critical states lying between a topological phase and a normal phase of the photonic crystal. They are thus very important for the study of topological photonic states. We show that, without breaking time-reversal symmetry, by tuning the geometry of the core-shell material, a phase transition into the photonic quantum spin Hall insulator can be achieved. Here the "spin" is defined as the orbital angular momentum of a photon. We study the topological phase transition as well as the properties of the edge and bulk states and their application potentials in optics.

Induced absorption spectra of the infrared fundamental band of molecular deuterium at 77 K: S1( J)+S0( J) transitions

International Nuclear Information System (INIS)

Gillard, P.G.; Prasad, R.D.G.; Reddy, S.P.

1984-01-01

The collision-induced spectra of the fundamental band of normal D 2 in the high frequency region 3200--3700 cm -1 were recorded for gas densities in the range 80--140 amagat at 77 K with a 2 m absorption cell. The contribution to the intensity of the band in this region comes from the high frequency wings of quadrupolar transitions S 1 ( J) and Q 1 ( J)+S 0 ( J) with J = 0 and 1, and from the group of transitions S 1 (2) and Q 1 ( J)+S 0 (2) with J = 0, 1, and 2 as well as from the relatively weaker double rotational transitions of the type S 1 ( J)+S 0 ( J); the latter transitions arise from the intermolecular interaction between the anisotropic component of the polarizability of one of the colliding pairs of molecules and the quadrupole field of the other. The experimental profiles were analyzed by assuming appropriate line shape functions and using the theoretical matrix elements of the quadrupole moment, isotropic polarizability, and anisotropy of polarizability of the D 2 molecule. From this analysis the characteristic half-width parameters delta/sub q/2 and delta/sub q/4 of the quadrupolar transitions and the binary and ternary absorption coefficients of the S 1 ( J)+S 0 ( J) transitions have been obtained. The experimental value of the binary absorption coefficient of S 1 (0)+S 0 (0) is (2.2 +- 0.1) x 10 -9 cm -1 amagat -2 and the corresponding theoretical value is 1.53 x 10 -9 cm -1 amagat -2

K-forbidden transition probabilities

International Nuclear Information System (INIS)

Saitoh, T.R.; Sletten, G.; Bark, R.A.; Hagemann, G.B.; Herskind, B.; Saitoh-Hashimoto, N.; Tsukuba Univ., Ibaraki

2000-01-01

Reduced hindrance factors of K-forbidden transitions are compiled for nuclei with A∝180 where γ-vibrational states are observed. Correlations between these reduced hindrance factors and Coriolis forces, statistical level mixing and γ-softness have been studied. It is demonstrated that the K-forbidden transition probabilities are related to γ-softness. The decay of the high-K bandheads has been studied by means of the two-state mixing, which would be induced by the γ-softness, with the use of a number of K-forbidden transitions compiled in the present work, where high-K bandheads are depopulated by both E2 and ΔI=1 transitions. The validity of the two-state mixing scheme has been examined by using the proposed identity of the B(M1)/B(E2) ratios of transitions depopulating high-K bandheads and levels of low-K bands. A break down of the identity might indicate that other levels would mediate transitions between high- and low-K states. (orig.)

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

International Nuclear Information System (INIS)

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

2002-01-01

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

Pseudo-spin band in the odd-odd nucleus sup 1 sup 7 sup 2 Lu

CERN Document Server

Venkova, T; Gast, W; Podsvirova, E O; Jäger, H M; Mihailescu, L; Bazzacco, D; Menegazzo, R; Lunardi, S; Alvarez, C R; Ur, C; Martínez, T; Angelis, G D; Axiotis, M; Napoli, D; Urban, W; Rzaca-Urban, T; Frauendorf, S

2003-01-01

High-spin states in the odd-odd nucleus sup 1 sup 7 sup 2 Lu have been populated in a sup 1 sup 7 sup 0 Er( sup 7 Li,5n) reaction and the emitted gamma-radiation was detected with the GASP array. Two sequences of a new identical band have been observed with the transition energies in the favoured and unfavoured sequences being identical within approx 3 keV at low spins and approx 1 keV at high spins over the whole observed spin range. An interpretation as a pseudo-spin singlet band of pi 1/2 sup - [541] x nu 1/2 sup - [420] configuration is proposed. It represents the best example of a pseudo-spin singlet band in normal deformed nuclei known until now.

Determination of band offsets at strained NiO and MgO heterojunction for MgO as an interlayer in heterojunction light emitting diode applications

Energy Technology Data Exchange (ETDEWEB)

Singh, S.D., E-mail: devsh@rrcat.gov.in [Raja Ramanna Centre for Advanced Technology, Indore, Madhya Pradesh 452013 (India); Nand, Mangla [Bhabha Atomic Research Centre, Mumbai, Maharashtra 400085 (India); Ajimsha, R.S.; Upadhyay, Anuj; Kamparath, Rajiv; Mukherjee, C.; Misra, P.; Sinha, A.K. [Raja Ramanna Centre for Advanced Technology, Indore, Madhya Pradesh 452013 (India); Jha, S.N. [Bhabha Atomic Research Centre, Mumbai, Maharashtra 400085 (India); Ganguli, Tapas [Raja Ramanna Centre for Advanced Technology, Indore, Madhya Pradesh 452013 (India)

2016-12-15

Highlights: • Valence band offset at NiO/MgO heterojunction is experimentally determined. • Experimentally determined value of 2.3 ± 0.4 eV is significantly larger than the predicted from theoretical calculations. • The value of valence band offset is in corroboration with that estimated from the band transitivity model. • Our result can be used to predict accurately carrier transport and electroluminescence mechanisms for heterojunction LEDs. - Abstract: Valence band offset of 2.3 ± 0.4 eV at strained NiO/MgO heterojunction is determined from photoelectron spectroscopy (PES) measurements. The determined value of valence band offset is larger than that is predicted from first principle calculations, but is in corroboration with that obtained from band transitivity rule. Our PES result indicates a larger value of the valence band offset at strained NiO/MgO heterojunction and can be used to predict accurately carrier transport and electroluminescence mechanisms for n-ZnO/MgO/p-NiO and p-NiO/MgO/n-GaN heterojunction light emitting diodes.

E0 transitions in {sup 106}Pd: Implications for shape coexistence

Energy Technology Data Exchange (ETDEWEB)

Peters, E.E.; Mynk, M.G. [University of Kentucky, Department of Chemistry, Lexington, KY (United States); Prados-Estevez, F.M.; Chakraborty, A.; Yates, S.W. [University of Kentucky, Department of Chemistry, Lexington, KY (United States); University of Kentucky, Department of Physics and Astronomy, Lexington, KY (United States); Bandyopadhyay, D.; Choudry, S.N.; Crider, B.P.; Kumar, A.; Lesher, S.R.; McKay, C.J.; Orce, J.N.; Scheck, M. [University of Kentucky, Department of Physics and Astronomy, Lexington, KY (United States); Garrett, P.E. [University of Guelph, Department of Physics, Guelph, Ontario (Canada); Hicks, S.F. [University of Dallas, Department of Physics, Irving, TX (United States); Vanhoy, J.R. [United States Naval Academy, Department of Physics, Annapolis, MD (United States); Wood, J.L. [Georgia Institute of Technology, School of Physics, Atlanta, GA (United States)

2016-04-15

Level lifetimes in {sup 106}Pd were measured with the Doppler-shift attenuation method following inelastic neutron scattering, and electric monopole transition strengths between low-lying 2{sup +} states were deduced. The large ρ{sup 2} (E0) values obtained provide evidence for shape coexistence, extending observation of such structures in the N = 60 isotones. Included in these results is the first determination of the E0 transition strength in the Pd nuclei between levels with K = 2. (orig.)

Highly retarded M2 transition in 90Nb

International Nuclear Information System (INIS)

Sergeev, V.O.

2006-01-01

One studied properties of 2.3 keV transition between 124.67 (4 - ) and 122.37 keV (6 + ) in 90 Nb. The mentioned M2-transition is shown to be retarded by approximately 10 4 times and provided explanations of the mentioned extraordinary high factor of deceleration. One evaluated impurity of E3 possible multipolarity constituent in the mentioned transition (δ 2 [ru

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

Energy spectra and E2 transition rates of 124—130Ba

Science.gov (United States)

Sabri, H.; Seidi, M.

2016-10-01

In this paper, we have studied the energy spectra and B(E2) values of 124—130Ba isotopes in the shape phase transition region between the spherical and gamma unstable deformed shapes. We have used a transitional interacting Boson model (IBM), Hamiltonian which is based on affine SU(1,1) Lie algebra in the both IBM-1 and 2 versions and also the Catastrophe theory in combination with a coherent state formalism to generate energy surfaces and determine the exact values of control parameters. Our results for control parameters suggest a combination of U(5) and SO(6) dynamical symmetries in this isotopic chain. Also, the theoretical predictions can be rather well reproduce the experimental counterparts, when the control parameter is approached to the SO(6) limit.

The influence of collisional transfer effects on measured C2 Swan band transition probabilities

International Nuclear Information System (INIS)

Erman, P.

1980-01-01

Lifetime and relative intensities of the C 2 (d - a) Swan bands have been remeasured using the High Frequency Deflection technique, yielding tau(d, γ = 0-6) = 120 +- 4ns. With increasing pressure of the C 2 H 2 target gas strong second lifetime components occur revealing collisional transfers from other C 2 levles with rate coefficients around 6 X 10 -11 cm 3 s -1 mol -1 . These transfers are also observed with a number of other catalyser gases such as He, Ne, Ar, N 2 , and CO 2 . The transfer processes explain the considerably longer lifetimes reported in several earlier lifetime investigations and could be a clue to the formation mechanism of the carbon high pressure bands. (Auth.)

Grain size dependent optical band gap of CdI2 films

Indian Academy of Sciences (India)

Unknown

absorption data near band edge can be fitted to an indirect band gap of 3 eV. The dependence of band gap ... while to carry out the optical studies on CdI2 films in order to .... replotted as (αhν)1/2 vs hν to determine indirect gap as shown in the ...

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.

Different collectivity in the two signatures of the i13/2 stemming band in 167Yb

International Nuclear Information System (INIS)

Petkov, P; Gladnishki, K A; Dewald, A; Fransen, C; Hackstein, M; Jolie, J; Pissulla, Th; Rother, W; Zell, K O; Möller, O; Reese, M; Deloncle, I

2014-01-01

Six lifetimes have been determined in the 5/2 + [642] band from vi 13/2 parentage in 167 Yb by means of Recoil distance Doppler-shift (RDDS) measurements carried out at the Cologne FN tandem. The deduced transition strengths and the level scheme are reasonably described by Particle plus triaxial rotor model (PTRM) calculations except for the behavior of the quadrupole collectivity in the two signatures of the 5/2 + [642] band. In that band, the quadrupole collectivity of the favored signature is appreciably larger than this of the unfavored signature. The effect increases with increasing the spin. Naturally, the rigid PTRM cannot explain these features, but the structure of its wave functions suggests a possible solution. It is associated with the enhanced contribution of low-Ω orbitals from vi 13/2 parentage in the favored signature compared to the unfavored one. This could selectively increase the deformation of the favored signature band members and give rise to a dynamic shape coexistence taking place between the two signatures which needs quantitative explanation by future theoretical work.

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.

A systematic study of band structure and electromagnetic properties of neutron rich odd mass Eu isotopes in the projected shell model framework

Energy Technology Data Exchange (ETDEWEB)

Pandit, Rakesh K.; Devi, Rani [University of Jammu, Department of Physics and Electronics, Jammu (India); Khosa, S.K. [Central University of Jammu, Department of Physics and Astronomical Sciences, Jammu (India); Bhat, G.H.; Sheikh, J.A. [University of Kashmir, Department of Physics, Srinagar (India)

2017-10-15

The positive and negative parity rotational band structure of the neutron rich odd mass Eu isotopes with neutron numbers ranging from 90 to 96 are investigated up to the high angular momentum. In the theoretical analysis of energy spectra, transition energies and electromagnetic transition probabilities we employ the projected shell model. The calculations successfully describe the formation of the ground and excited band structures from the single particle and multi quasiparticle configurations. Calculated excitation energy spectra, transition energies, exact quantum mechanically calculated B(E2) and B(M1) transition probabilities are compared with experimental data wherever available and a reasonably good agreement is obtained with the observed data. The change in deformation in the ground state band with the increase in angular momentum and the increase in neutron number has also been established. (orig.)

Pushing the pseudo-SU(3) model towards its limits: Excited bands in even-even Dy isotopes

International Nuclear Information System (INIS)

Vargas, Carlos E.; Hirsch, Jorge G.

2004-01-01

The energetics of states belonging to normal parity bands in even-even dysprosium isotopes, and their B(E2) transition strengths, are studied using an extended pseudo-SU(3) shell model. States with pseudospin 1 are added to the standard pseudospin 0 space, allowing for a proper description of known excited normal parity bands. A realistic Hamiltonian is employed. Both the success of model and its limitations are discussed

Dark trions and biexcitons in WS2 and WSe2 made bright by e-e scattering

Science.gov (United States)

Danovich, Mark; Zólyomi, Viktor; Fal'Ko, Vladimir I.

2017-04-01

The direct band gap character and large spin-orbit splitting of the valence band edges (at the K and K’ valleys) in monolayer transition metal dichalcogenides have put these two-dimensional materials under the spot-light of intense experimental and theoretical studies. In particular, for Tungsten dichalcogenides it has been found that the sign of spin splitting of conduction band edges makes ground state excitons radiatively inactive (dark) due to spin and momentum mismatch between the constituent electron and hole. One might similarly assume that the ground states of charged excitons and biexcitons in these monolayers are also dark. Here, we show that the intervalley (K ⇆ K‧) electron-electron scattering mixes bright and dark states of these complexes, and estimate the radiative lifetimes in the ground states of these “semi-dark” trions and biexcitons to be ~10 ps, and analyse how these complexes appear in the temperature-dependent photoluminescence spectra of WS2 and WSe2 monolayers.

E1-forbidden transition rates in ions of astrophysical interest

International Nuclear Information System (INIS)

Träbert, E

2014-01-01

Transition rates in atomic systems may appear to be of little importance in steady-state plasmas that are observed at great distances from Earth. However, some of the transition rates compete with collision rates, and in these cases certain line intensity ratios are affected and can serve as remote indicators of density. In the low-density environments of stellar coronae and planetary nebulae, the transition rates of interest are mostly spin-forbidden E1 decays, higher-multipole order transitions (M1, E2, M2, M3), and hyperfine-induced transitions. On Earth, measurements of the long upper level lifetimes of these atomic systems require the use of ion traps. A fair number of test cases with lifetimes in the range from nanoseconds to many seconds have been treated successfully, and the evolution of calculations along with the experimental progress is notable. A new generation of cold ion traps is expected to extend the atomic lifetime measurements on multiply charged ions into the range of many minutes. (paper)

Self-limiting filters for band-selective interferer rejection or cognitive receiver protection

Science.gov (United States)

Nordquist, Christopher; Scott, Sean Michael; Custer, Joyce Olsen; Leonhardt, Darin; Jordan, Tyler Scott; Rodenbeck, Christopher T.; Clem, Paul G.; Hunker, Jeff; Wolfley, Steven L.

2017-03-07

The present invention related to self-limiting filters, arrays of such filters, and methods thereof. In particular embodiments, the filters include a metal transition film (e.g., a VO.sub.2 film) capable of undergoing a phase transition that modifies the film's resistivity. Arrays of such filters could allow for band-selective interferer rejection, while permitting transmission of non-interferer signals.

Self-limiting filters for band-selective interferer rejection or cognitive receiver protection

Energy Technology Data Exchange (ETDEWEB)

Nordquist, Christopher; Scott, Sean Michael; Custer, Joyce Olsen; Leonhardt, Darin; Jordan, Tyler Scott; Rodenbeck, Christopher T.; Clem, Paul G.; Hunker, Jeff; Wolfley, Steven L.

2017-03-07

The present invention related to self-limiting filters, arrays of such filters, and methods thereof. In particular embodiments, the filters include a metal transition film (e.g., a VO.sub.2 film) capable of undergoing a phase transition that modifies the film's resistivity. Arrays of such filters could allow for band-selective interferer rejection, while permitting transmission of non-interferer signals.

Rovibrational study of the 2ν2 band of D213CO by high-resolution Fourier transform infrared spectroscopy

Science.gov (United States)

Wu, Q. Y.; Tan, T. L.; A'dawiah, Rabia'tul; Ng, L. L.

2018-03-01

The high-resolution FTIR spectrum of the 2ν2 band (3250-3380 cm-1) of D213CO was recorded at an unapodized resolution of 0.0063 cm-1. A total of 747 rovibrational transitions have been assigned and fitted up to J″ = 32 and Ka″ = 10 using the Watson's A-reduced Hamiltonian in the Ir representation. A set of accurate upper state (v2 = 2) rovibrational constants, three rotational and five quartic centrifugal distortion constants, were determined for the first time. The band center of the 2ν2 band was found to be 3326.765109 ± 0.000079 cm-1. The rms deviation of the rovibrational fit was 0.00096 cm-1.

A multitude of rotational bands in {sup 163}Er and their mutual interaction

Energy Technology Data Exchange (ETDEWEB)

Bosetti, P.; Leoni, S.; Bracco, A. [Univ. of Milan (Italy)] [and others

1996-12-31

Using the {sup 150}Nd({sup 18}O, 5n){sup 163}Er reaction a multitude of rotational bands have been established with firm spin and parity assignments in {sup 163}Er. In 16 out of {approximately} 23 band crossings E2 cross-band transitions have been observed. The interaction strength varies between {approximately} 1 and {approximately} 50 keV. These interactions sample a variety of the lowest (multi)-quasiparticle configurations. Some of the band configurations, in particular those with high K-values, can be rather well established. Quite complicated changes in the wavefunctions must occur at these crossings, and, to explain the observed interaction strengths, one may have to invoke coupling to various vibrational degrees of freedom, in addition to possible residual neutron-proton interactions.

Band gap of β-PtO2 from first-principles

Directory of Open Access Journals (Sweden)

Yong Yang

2012-06-01

Full Text Available We studied the band gap of β-PtO2 using first-principles calculations based on density functional theory (DFT. The results are obtained within the framework of the generalized gradient approximation (GGA, GGA+U, GW, and the hybrid functional methods. For the different types of calculations, the calculated band gap increases from ∼0.46 eV to 1.80 eV. In particular, the band gap by GW (conventional and self-consistent calculation shows a tendency of converging to ∼1.25 ± 0.05 eV. The effect of on-site Coulomb interaction on the bonding characteristics is also analyzed.

B (E2) values of transitions from kπ= 0+→ 2+ vibrational bands in some well deformed heavy nuclei

International Nuclear Information System (INIS)

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

2009-01-01

There is simultaneous reduced B (E2) values of low-lying K π= 0 + → 2 + states, indicating a beta vibration like structure as well as the two particle transfer cross-section which suggest a pairing vibration like character and interpreted that low-lying k π= 0 + → 2 + resonance are classical beta vibrations. Recently, similar doubts about the origin of beta vibrations from surface oscillation have also been published

Selected properties of nuclei at the magic shell closures from the studies of E1, M1 and E2 transition rates

International Nuclear Information System (INIS)

Mach, H.; Baluyut, A.-M.; Smith, D.; Ruchowska, E.; Koester, U.; Fraile, L. M.; Penttilae, H.; Aeystoe, J.; Elomaa, V.-V.; Eronen, T.; Hakala, J.; Jokinen, A.; Karvonen, P.; Kessler, T.; Moore, I. D.; Rahaman, S.; Rissanen, J.; Ronkainen, J.; Ronkanen, P.; Saastamoinen, A.

2009-01-01

Using the Advanced Time-Delayed method we have studied transition rates in several neutron-rich nuclei at the magic shell closures. These include the heavy Co and Fe nuclei just below the Z = 28 shell closure at the point of transition from spherical to collective structures. Of particular interest is 63 Fe located exactly at the point of transition at N = 37. A substantial increase in the information on this nucleus was obtained from a brief fast timing study conducted at ISOLDE. The new results indicate that 63 Fe seems to depart from a simple shell model structure observed for heavier N = 37 isotones of 65 Ni and 67 Zn.Another region of interest are the heavy Cd and Sn nuclei at N = 72, 74 and the properties of negative parity quasi-particle excitations. These experiments, performed at the IGISOL separator at Jyvaeskylae, revealed interesting properties of the E2 rates in the sequence of E2 transitions connecting the 10 + , 8 + , 6 + , 4 + , 2 + and 0 + members of the multiplet of levels in 122 Sn due to neutrons in the h 11/2 orbit.

Metal–insulator transition in the high pressure cubic CaF2-type ...

Indian Academy of Sciences (India)

2018-03-22

Mar 22, 2018 ... (FM) is quenched at 65 GPa. However, they have not ... transition from m-CrO2 to c-CrO2 was detected at 88.8 GPa. They demonstrated that .... below the Fermi level (EF), while the unoccupied t2g bands are pushed above EF ...

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.).

Mg-doped VO2 nanoparticles: hydrothermal synthesis, enhanced visible transmittance and decreased metal-insulator transition temperature.

Science.gov (United States)

Zhou, Jiadong; Gao, Yanfeng; Liu, Xinling; Chen, Zhang; Dai, Lei; Cao, Chuanxiang; Luo, Hongjie; Kanahira, Minoru; Sun, Chao; Yan, Liuming

2013-05-28

This paper reports the successful preparation of Mg-doped VO2 nanoparticles via hydrothermal synthesis. The metal-insulator transition temperature (T(c)) decreased by approximately 2 K per at% Mg. The Tc decreased to 54 °C with 7.0 at% dopant. The composite foils made from Mg-doped VO2 particles displayed excellent visible transmittance (up to 54.2%) and solar modulation ability (up to 10.6%). In addition, the absorption edge blue-shifted from 490 nm to 440 nm at a Mg content of 3.8 at%, representing a widened optical band gap from 2.0 eV for pure VO2 to 2.4 eV at 3.8 at% doping. As a result, the colour of the Mg-doped films was modified to increase their brightness and lighten the yellow colour over that of the undoped-VO2 film. A first principle calculation was conducted to understand how dopants affect the optical, Mott phase transition and structural properties of VO2.

Band nesting, massive Dirac fermions, and valley Landé and Zeeman effects in transition metal dichalcogenides: A tight-binding model

Science.gov (United States)

Bieniek, Maciej; Korkusiński, Marek; Szulakowska, Ludmiła; Potasz, Paweł; Ozfidan, Isil; Hawrylak, Paweł

2018-02-01

We present here the minimal tight-binding model for a single layer of transition metal dichalcogenides (TMDCs) MX 2(M , metal; X , chalcogen) which illuminates the physics and captures band nesting, massive Dirac fermions, and valley Landé and Zeeman magnetic field effects. TMDCs share the hexagonal lattice with graphene but their electronic bands require much more complex atomic orbitals. Using symmetry arguments, a minimal basis consisting of three metal d orbitals and three chalcogen dimer p orbitals is constructed. The tunneling matrix elements between nearest-neighbor metal and chalcogen orbitals are explicitly derived at K ,-K , and Γ points of the Brillouin zone. The nearest-neighbor tunneling matrix elements connect specific metal and sulfur orbitals yielding an effective 6 ×6 Hamiltonian giving correct composition of metal and chalcogen orbitals but not the direct gap at K points. The direct gap at K , correct masses, and conduction band minima at Q points responsible for band nesting are obtained by inclusion of next-neighbor Mo-Mo tunneling. The parameters of the next-nearest-neighbor model are successfully fitted to MX 2(M =Mo ; X =S ) density functional ab initio calculations of the highest valence and lowest conduction band dispersion along K -Γ line in the Brillouin zone. The effective two-band massive Dirac Hamiltonian for MoS2, Landé g factors, and valley Zeeman splitting are obtained.

Strongly reduced band gap in NiMn2O4 due to cation exchange

International Nuclear Information System (INIS)

Huang, Jhih-Rong; Hsu, Han; Cheng, Ching

2014-01-01

NiMn 2 O 4 is extensively used as a basis material for temperature sensors due to its negative temperature coefficient of resistance (NTCR), which is commonly attributed to the hopping mechanism involving coexisting octahedral-site Mn 4+ and Mn 3+ . Using density-functional theory + Hubbard U calculations, we identify a ferrimagnetic inverse spinel phase as the collinear ground state of NiMn 2 O 4 . By a 12.5% cation exchange, a mixed phase with slightly higher energy can be constructed, accompanied by the formation of an impurity-like band in the original 1 eV band gap. This impurity-like band reduces the gap to 0.35 eV, suggesting a possible source of NTCR. - Highlights: • Density functional based calculations were used to study collinear phase of NiMn 2 O 4 . • The ground-state structure is a ferrimagnetic inverse spinel phase. • The tetrahedral and octahedral Mn cations have ferromagnetic interactions. • A 12.5% cation exchange introduces an impurity-like band in the original 1 eV gap. • The 0.35 eV gap suggests a source of negative temperature coefficient of resistance

Optical and electronic properties of 2 H -Mo S2 under pressure: Revealing the spin-polarized nature of bulk electronic bands

Science.gov (United States)

Brotons-Gisbert, Mauro; Segura, Alfredo; Robles, Roberto; Canadell, Enric; Ordejón, Pablo; Sánchez-Royo, Juan F.

2018-05-01

Monolayers of transition-metal dichalcogenide semiconductors present spin-valley locked electronic bands, a property with applications in valleytronics and spintronics that is usually believed to be absent in their centrosymmetric (as the bilayer or bulk) counterparts. Here we show that bulk 2 H -Mo S2 hides a spin-polarized nature of states determining its direct band gap, with the spin sequence of valence and conduction bands expected for its single layer. This relevant finding is attained by investigating the behavior of the binding energy of A and B excitons under high pressure, by means of absorption measurements and density-functional-theory calculations. These results raise an unusual situation in which bright and dark exciton degeneracy is naturally broken in a centrosymmetric material. Additionally, the phonon-assisted scattering process of excitons has been studied by analyzing the pressure dependence of the linewidth of discrete excitons observed at the absorption coefficient edge of 2 H -Mo S2 . Also, the pressure dependence of the indirect optical transitions of bulk 2 H -Mo S2 has been analyzed by absorption measurements and density-functional-theory calculations. These results reflect a progressive closure of the indirect band gap as pressure increases, indicating that metallization of bulk Mo S2 may occur at pressures higher than 26 GPa.

Visible-light activity of N-LiInO{sub 2}: Band structure modifications through interstitial nitrogen doping

Energy Technology Data Exchange (ETDEWEB)

Xu, Kaiqiang [College of Material Science and Engineering, Hunan University, Changsha, 410082 (China); Xu, Difa, E-mail: xudifa@sina.com [Hunan Key Laboratory of Applied Environmental Photocatalysis, Changsha University, Changsha, 410022 (China); Zhang, Xiangchao; Luo, Zhuo; Wang, Yutang [Hunan Key Laboratory of Applied Environmental Photocatalysis, Changsha University, Changsha, 410022 (China); Zhang, Shiying, E-mail: cdzhangshiying@163.com [College of Material Science and Engineering, Hunan University, Changsha, 410082 (China); Hunan Key Laboratory of Applied Environmental Photocatalysis, Changsha University, Changsha, 410022 (China)

2017-01-01

Highlights: • The interstitial nitrogen doping into LiInO{sub 2} is achieved at low temperature. • The band gap narrowing to an extent of 2.8 eV from 3.5 eV is observed. • The doping favours charge carrier separation and photocatalytic activity. • Superoxide radical is the dominant active specie in the pollutant degradation. - Abstract: Element doping is a promising strategy to improve the photo-response and photocatalytic activity of semiconductor photocatalyst with a wide band gap. To reduce the band gap of LiInO{sub 2} that is considered as a novel photocatalyst, nitrogen-doped LiInO{sub 2} (N-LiInO{sub 2}) is successfully fabricated by treating LiInO{sub 2} and urea at 200 °C. It is found that interstitial instead of substitutional configurations are formed in the crystal structure of N-LiInO{sub 2} due to the low-treating temperature and rich-oxygen conditions. The interstitial N-doping forms a doping state with 0.6 eV above the valence band maximum and a defect state with 0.1 eV below the conduction band minimum, reducing the band gap of LiInO{sub 2} from 3.5 to 2.8 eV. N-LiInO{sub 2} exhibits higher photocatalytic activity towards methylene blue (MB) degradation under 380 nm light irradiation, which is 1.4 times that of pure LiInO{sub 2}. The enhanced photocatalytic activity of N-LiInO{sub 2} is attributed to the extended light absorption and the improved charge carrier separation, which result in more reactive species participating in the photcatalytic process. This work provides a further understanding on tuning the band structure of semiconductor photocatalyst by N-doping strategies.

First identification of the 0{sub 2}{sup +} state in {sup 30}Mg via its E0 transition

Energy Technology Data Exchange (ETDEWEB)

Schwerdtfeger, Wolfgang Norbert Erik

2008-08-28

The known 1789 keV level in {sup 30}Mg turned out to be a candidate for the 0{sub 2}{sup +} state due to its long lifetime of 3.9(4) ns and the absence of a {gamma} transition to the ground state. This triggered our search on the 0{sub 2}{sup +}{yields}0{sub 1}{sup +} E0 transition in {sup 30}Mg following the {beta} decay of {sup 30}Na: {beta} decay electrons were detected in a scintillation detector, while conversion electrons were focused onto a cooled Si(Li) detector using a Mini-Orange and detected with high resolution, which simultaneously suppresses the high background of {beta} decay electrons. Due to the large Q value of the {beta} decay of {sup 30}Na (17.3 MeV) the suppression of the coincident background induced by high-energy {gamma} rays and subsequently Compton-scattered electrons turned out to be the key challenge for the success of this experiment. In order to optimise the background suppression and thus the sensitivity to weak E0 transitions, offline test measurements using an {sup 90}Y and a {sup 152}Eu source were performed together with GEANT4 simulations. Resulting from these test measurements a highly sensitive experimental setup was designed and built, consequently minimising the amount of high-Z material in the target chamber, reducing X-ray production. As a by-product from test measurements the database value of the half-life of the 0{sub 2}{sup +} state in {sup 90}Zr could be corrected by more than 30 % to be t{sub 1/2}=41(1) ns. Finally, in a {beta} decay experiment at the ISOLDE facility at CERN the 0{sub 2}{sup +}{yields}0{sub 1}{sup +} E0 transition in {sup 30}Mg could be identified at the expected transition energy of 1788 keV proving for the first time shape coexistence at the borderline of the 'Island of Inversion'. This identification allows to determine the electric monopole strength as {rho}{sup 2}(E0)=26.2(7.5) x 10{sup -3}, indicating a rather weak mixing between the states in two potential minima in a simplified two

Collision-induced absorption by D2 pairs in the first overtone band at 77, 201 and 298 K

International Nuclear Information System (INIS)

Abu-Kharma, M.; Gillard, P.G.; Reddy, S.P.

2006-01-01

Collision induced absorption (CIA) spectra of pure D 2 in the first overtone region from 5250 to 7250 cm -1 , recorded at 77, 201 and 298 K, have been analyzed. The observed spectra at 77, 201 and 298 K were modelled by a total of 92, 214 and 267 components respectively of double vibrational transitions at room temperature of the type X 2 (J) +X 0 (J) and X 1 (J) + X 1 (J), where X is O, Q or S transitions. Profile analyses of the spectra were carried out using the Birnbaum-Cohen line-shape function for the individual components of the band, and characteristic line shape parameters were determined from the analysis. The observed and calculated profiles agree well over the whole overtone band, and the agreement is better than 97% in the three cases studied. Binary and ternary absorption coefficients were determined from the integrated absorption of the band. (authors)

The formation of α-phase SnS nanorods by PVP assisted polyol synthesis: Phase stability, micro structure, thermal stability and defects induced energy band transitions

Energy Technology Data Exchange (ETDEWEB)

Baby, Benjamin Hudson; Mohan, D. Bharathi, E-mail: d.bharathimohan@gmail.com

2017-05-01

We report the formation of single phase of SnS nanostructure through PVP assisted polyol synthesis by varying the source concentration ratio (Sn:S) from 1:1M to 1:12M. The effect of PVP concentration and reaction medium towards the preparation of SnS nanostructure is systematically studied through confocal Raman spectrometer, X-ray diffraction, thermogravimetry analysis, scanning electron microscope, transmission electron microscopy, X-ray photoelectron spectroscopy, UV–Vis–NIR absorption and fluorescence spectrophotometers. The surface morphology of SnS nanostructure changes from nanorods to spherical shape with increasing PVP concentration from 0.15M to 0.5M. Raman analysis corroborates that Raman active modes of different phases of Sn-S are highly active when Raman excitation energy is slightly greater than the energy band gap of the material. The presence of intrinsic defects and large number of grain boundaries resulted in an improved thermal stability of 20 °C during the phase transition of α-SnS. Band gap calculation from tauc plot showed the direct band gap of 1.5 eV which is attributed to the single phase of SnS, could directly meet the requirement of an absorber layer in thin film solar cells. Finally, we proposed an energy band diagram for as synthesized single phase SnS nanostructure based on the experimental results obtained from optical studies showing the energy transitions attributed to band edge transition and also due to the presence of intrinsic defects. - Highlights: • PVP stabilizes the orthorhombic (α) phase of SnS. • Optical band gap of P type SnS tuned by PVP for photovoltaic applications. • The formation of Sn rich SnS phase is investigated through XPS analysis. • Intrinsic defects enhance the thermal stability of α-SnS. • The feasibility of energy transition liable to point defects is discussed.

Role of electrostatic fluctuations in doped semiconductors upon the transition from band to hopping conduction (by the example of p-Ge:Ga)

Energy Technology Data Exchange (ETDEWEB)

Poklonski, N. A., E-mail: poklonski@bsu.by; Vyrko, S. A.; Poklonskaya, O. N. [Belarusian State University (Belarus); Zabrodskii, A. G. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)

2016-06-15

The electrostatic model of ionization equilibrium between hydrogen-like acceptors and v-band holes in crystalline covalent p-type semiconductors is developed. The range of applicability of the model is the entire insulator side of the insulator–metal (Mott) phase transition. The density of the spatial distribution of acceptor- and donor-impurity atoms and holes over a crystal was assumed to be Poissonian and the fluctuations of their electrostatic potential energy, to be Gaussian. The model takes into account the effect of a decrease in the energy of affinity of an ionized acceptor to a v-band hole due to Debye–Hückel ion screening by both free v-band holes and localized holes hopping over charge states (0) and (–1) of acceptors in the acceptor band. All donors are in charge state (+1) and are not directly involved in the screening, but ensure the total electroneutrality of a sample. In the quasiclassical approximation, analytical expressions for the root-mean-square fluctuation of the v-band hole energy W{sub p} and effective acceptor bandwidth W{sub a} are obtained. In calculating W{sub a}, only fluctuations caused by the Coulomb interaction between two nearest point charges (impurity ions and holes) are taken into account. It is shown that W{sub p} is lower than W{sub a}, since electrostatic fluctuations do not manifest themselves on scales smaller than the average de Broglie wavelength of a free hole. The delocalization threshold for v-band holes is determined as the sum of the diffusive-percolation threshold and exchange energy of holes. The concentration of free v-band holes is calculated at the temperature T{sub j} of the transition from dc band conductivity to conductivity implemented via hopping over acceptor states, which is determined from the virial theorem. The dependence of the differential energy of the thermal ionization of acceptors at the temperature 3T{sub j}/2 on their concentration N and degree of compensation K (the ratio between the

Alloying as a Route to Monolayer Transition Metal Dichalcogenides with Improved Optoelectronic Performance: Mo(S1–xSex)2 and Mo1–yWyS2

KAUST Repository

Shi, Zhiming

2018-04-26

On the basis of first-principles and cluster expansion calculations, we propose an effective approach to realize monolayer transition metal dichalcogenides with sizable band gaps and improved optoelectronic performance. We show that monolayer Mo(S1–xSex)2 and Mo1–yWyS2 with x = 1/3, 2/3 and y = 1/3, 1/2, 2/3 are stable according to phonon calculations and realize 1T′ or 1T″ phases. The transition barriers from the 2H phase are lower than for monolayer MoS2, implying that the 1T′ or 1T″ phases can be achieved experimentally. Furthermore, it turns out that the 1T″ monolayer alloys with x = 1/3, 2/3 and y = 1/3, 2/3 are semiconductors with band gaps larger than 1 eV, due to trimerization. The visible light absorption and carrier mobility are strongly improved as compared to 2H monolayer MoS2, MoSe2, and WS2. Thus, the 1T″ monolayer alloys have the potential to expand the applications of transition metal dichalcogenides, for example, in solar cells.

Band gap engineering of N-alloyed Ga2O3 thin films

Directory of Open Access Journals (Sweden)

Dongyu Song

2016-06-01

Full Text Available The authors report the tuning of band gap of GaON ternary alloy in a wide range of 2.75 eV. The samples were prepared by a two-step nitridation method. First, the samples were deposited on 2-inch fused silica substrates by megnetron sputtering with NH3 and Ar gas for 60 minutes. Then they were annealed in NH3 ambience at different temperatures. The optical band gap energies are calculated from transmittance measurements. With the increase of nitridation temperature, the band gap gradually decreases from 4.8 eV to 2.05 eV. X-ray diffraction results indicate that as-deposited amorphous samples can crystallize into monoclinic and hexagonal structures after they were annealed in oxygen or ammonia ambience, respectively. The narrowing of the band gap is attributed to the enhanced repulsion of N2p -Ga3d orbits and formation of hexagonal structure.

Room Temperature Optical Constants and Band Gap Evolution of Phase Pure M1-VO2 Thin Films Deposited at Different Oxygen Partial Pressures by Reactive Magnetron Sputtering

Directory of Open Access Journals (Sweden)

Meng Jiang

2014-01-01

Full Text Available Spectroscopic ellipsometry study was employed for phase pure VO2(M1 thin films grown at different oxygen partial pressures by reactive magnetron sputtering. The optical constants of the VO2(M1 thin films have been determined in a photon energy range between 0.73 and 5.05 eV. The near-infrared extinction coefficient and optical conductivity of VO2(M1 thin films rapidly increase with decreasing O2-Ar ratios. Moreover, two electronic transitions can be uniquely assigned. The energy gaps correlated with absorption edge (E1 at varied O2-Ar ratios are almost the same (~2.0 eV; consequently, the absorption edge is not significantly changed. However, the optical band gap corresponding to semiconductor-to-metal phase transition (E2 decreases from 0.53 to 0.18 eV with decreasing O2-Ar ratios.

Synthesis of electronically modified carbon nitride from a processable semiconductor, 3-aminotriazole-1,2,4 oligomer, via a topotactic-like phase transition

OpenAIRE

Savateev, A.; Pronkin, S.; Epping, J.; Willinger, M.; Antonietti, M.; Dontsova, D.

2017-01-01

The thermally induced topotactic transformation of organic polymeric semiconductors is achieved using similarity of the chemical structures of the two C,N,H-containing materials. Namely, the oligomer of 3-aminotriazole-1,2,4 (OATA) is transformed into an electronically modified graphitic carbon nitride (OATA-CN) upon heating at 550 °C. During the transition, the flat band potential of the organic semiconductor is only slightly shifted from -0.11 eV to -0.06 eV, while the optical band gap is s...

Tunable diode laser measurements of air-broadened linewidths in the nu6 band of H2O2

Science.gov (United States)

Malathy Devi, V.; Benner, D. C.; Rinsland, C. P.; Smith, M. A. H.; Fridovich, B.

1986-01-01

Air-broadened half-widths of 18 transitions in the nu6 band of H2O2 between 1252/cm and 1291/cm have been determined from spectra recorded at room temperature using a tunable diode laser spectrometer. The preparation of the H2O2 gas samples for the measurements is described, and the data analysis is discussed, including the derivation of Lorentz broadening coefficients and the contribution of molecular collisions to the measured Lorentz half-widths. For the 18 transitions, the half-widths varied from 0.0923/cm/atm to 0.1155/cm/atm at 296 K, with a mean value of 0.1020/cm/atm. An error of less than 10 percent is estimated for these results.

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

Ultra-low-noise transition edge sensors for the SAFARI L-band on SPICA

Science.gov (United States)

Goldie, D. J.; Gao, J. R.; Glowacka, D. M.; Griffin, D. K.; Hijmering, R.; Khosropanah, P.; Jackson, B. D.; Mauskopf, P. D.; Morozov, D.; Murphy, J. A.; Ridder, M.; Trappe, N.; O'Sullivan, C.; Withington, S.

2012-09-01

The Far-Infrared Fourier transform spectrometer instrument SAFARI-SPICA which will operate with cooled optics in a low-background space environment requires ultra-sensitive detector arrays with high optical coupling efficiencies over extremely wide bandwidths. In earlier papers we described the design, fabrication and performance of ultra-low-noise Transition Edge Sensors (TESs) operated close to 100mk having dark Noise Equivalent Powers (NEPs) of order 4 × 10-19W/√Hz close to the phonon noise limit and an improvement of two orders of magnitude over TESs for ground-based applications. Here we describe the design, fabrication and testing of 388-element arrays of MoAu TESs integrated with far-infrared absorbers and optical coupling structures in a geometry appropriate for the SAFARI L-band (110 - 210 μm). The measured performance shows intrinsic response time τ ~ 11ms and saturation powers of order 10 fW, and a dark noise equivalent powers of order 7 × 10-19W/√Hz. The 100 × 100μm2 MoAu TESs have transition temperatures of order 110mK and are coupled to 320×320μm2 thin-film β-phase Ta absorbers to provide impedance matching to the incoming fields. We describe results of dark tests (i.e without optical power) to determine intrinsic pixel characteristics and their uniformity, and measurements of the optical performance of representative pixels operated with flat back-shorts coupled to pyramidal horn arrays. The measured and modeled optical efficiency is dominated by the 95Ω sheet resistance of the Ta absorbers, indicating a clear route to achieve the required performance in these ultra-sensitive detectors.

Swift heavy ion irradiation induced modifications in the optical band gap and Urbach's tail in polyaniline nanofibers

International Nuclear Information System (INIS)

Banerjee, Somik; Kumar, A.

2011-01-01

Optical band gap and Urbach tail width of HCl and CSA doped polyaniline (PAni) nanofibers and the ion beam induced modifications in the band gap and Urbach's tail of the samples have been studied employing UV-Vis absorption spectroscopy. All the major bands appearing in the FTIR spectra exhibit a decrease in intensity and broadening in their band widths upon interaction with the highly energetic ion beams. This suggests that SHI irradiation induces chain-scissioning events in the PAni nanofibers. An interesting result that comes out from the FTIR analysis is a transition from the benzenoid to quinoid states in the PAni chains, which reveals that there is a decrease in the degree of conjugation in the polymer upon irradiation. Optical absorption studies indicate three direct allowed transitions at ∼2.64, 3.61 and 4.08 eV for HCl doped PAni nanofibers and at ∼2.62, 3.49 and 4.02 eV for the CSA doped PAni nanofibers. The optical band gap is found to increase with increasing ion fluence which may be attributed to the reduction in the fiber diameters upon irradiation, which is corroborated by TEM analysis. Increase in the optical band gap also points out to a decrease in the conjugation length due to the larger torsion angles between the adjacent phenyl rings of the polymer with respect to the plane of the nitrogen atoms, which is also supported by FTIR results. The Urbach tail width decreases with increasing ion fluence indicating that structural disorders are annealed out of the PAni nanofibers which is also observed from the plots of (αhν) 2 against photon energy (hν) for HCl doped PAni nanofibers. The quantum confinement effect is confirmed by fact that a band gap exhibits a linear dependence on the inverse of the square of the radius of the PAni nanofibers. Infact, the increase in the optical band gap may be a combined effect of the decrease in the Urbach band width and the quantum confinement effect.

Tunable diode laser measurement of self and foreign broadening and shift versus temperature of seven ammonia transitions of the v{sub 2} band

Energy Technology Data Exchange (ETDEWEB)

Baldacchini, G.; D`Amato, F. [ENEA, Centro Ricerche Frascati, Rome (Italy); Buffa, G.; Tarrini, O. [Pis, Univ. (Italy). Dip. di Fisica; De Rosa, M.; Pelagalli, F.

1998-02-01

Self broadening and self shift coefficients have been measured as a function of temperature in the range from 200 to 400 K for seven ammonia transitions in the v{sub 2} band near 900 cm{sup -1}. Among these, one (near 921 cm {sup -1}) has been used to study the broadening and shift coefficients induced by several foreign gas as N{sub 2}, O{sub 2}, Air, H{sub 2}, Ar, He, as a function of temperature from 180 to 400 K. The results have been compared with semiclassical calculations relying on the impact approximation. The main results are that the modifies Anderson-Tsao-Curnutte theory describes very well the self broadening but has some limitations for self shift and foreign gas measurements. Moreover, this theory does not agree well with the empirical laws describing the temperature behaviours, especially when wide temperature ranges are involved. On the other hand these empirical laws are completely at odd in those cases when the shift coefficient changes its sign versus temperature as it`s observed in this work. [Italiano] Sono stati misurati i coefficienti di allargamento e spostamento in funzione della temperatura nell`intervallo da 200 a 400 K per sette transizioni nella banda v{sub 2} dell`ammoniaca intorno a 900 cm{sup -1}. Una tra queste (a{approx}921 cm{sup -1}) e` stata usata per studiare i coefficienti di allargamento e spostamento indotti dalle collisioni con diversi altri gas, come N{sub 2}, O{sub 2}, Aria, H{sub 2}, Ar, He, in funzione della temperatura da 180 a 400 K. I risultati sono stati confrontati con calcoli semiclassici basati sull`approssimazione dell`impatto. I principali risultati sono che la teoria modificata di Anderson-Tsao-Curnutte descrive molto bene l`allargamento ma presenta alcuni limiti con lo spostamento e le misure con gas diversi. Inoltre questa teoria non si accorda bene con le leggi empiriche che descrivono gli andamenti con la temperatura, in particolare quando si considerano ampi intervalli di temperatura. D`altra parte le

E- and W-band high-capacity hybrid fiber-wireless link

DEFF Research Database (Denmark)

Vegas Olmos, Juan José; Pang, Xiaodan; Tafur Monroy, Idelfonso

2014-01-01

In this paper we summarize the work conducted in our group in the area of E- and W-band optical high-capacity fiber-wireless links. We present performance evaluations of E- and W-band mm-wave signal generation using photonic frequency upconversion employing both VCSELs and ECLs, along with transm...... in mobile backhaul/fronthaul applications, dense distributed antenna systems and fiber-over-radio scenarios.......In this paper we summarize the work conducted in our group in the area of E- and W-band optical high-capacity fiber-wireless links. We present performance evaluations of E- and W-band mm-wave signal generation using photonic frequency upconversion employing both VCSELs and ECLs, along...... with transmission over different type of optical fibers and for a number of values for the wireless link distance. Hybrid wireless-optical links can be composed of mature and resilient technology available off-the-shelf, and provide functionalities that can add value to optical access networks, specifically...

High resolution emission Fourier transform infrared spectra of the 4p-5s and 5p-6s bands of ArH.

Science.gov (United States)

Baskakov, O I; Civis, S; Kawaguchi, K

2005-03-15

In the 2500-8500 cm(-1) region several strong emission bands of (40)ArH were observed by Fourier transform spectroscopy through a dc glow discharge in a mixture of argon and hydrogen. Rotational-electronic transitions of the two previously unstudied 4p-5s and 5p-6s,v = 0-0, bands of (40)ArH were measured and assigned in the 6060 and 3770 cm(-1) regions, respectively. A simultaneous fit of the emission transitions of the 4p-5s and 5p-6s bands and an extended set of transitions of the 6s-4p band observed by Dabrowski, Tokaryk, and Watson [J. Mol. Spectrosc. 189, 95 (1998)] and remeasured in the present work yielded consistent values of the spectroscopic parameters of the electronic states under investigation. In the branch of the 4p-5s band with transitions of type (Q)Q(f(3)e) we observed a narrowing in the linewidths with increasing rotational quantum number N. The rotational dependence of the linewidth is caused by predissociation of the 5s state by the repulsive ground 4s state through homogeneous coupling and changes in overlap integrals of the vibrational wave functions with the rotational level. Analysis was based on the Fermi's golden rule approximation model. In the 4p-5s band region a vibrational sequence ofv(')-v(")=1-1, 2-2, and 3-3 were recorded and a number of transitions belonging to the strongest (Q)Q(f(3)e) form branch of the 1-1 band were analyzed.

On the structure of collective bands in 78Kr

International Nuclear Information System (INIS)

Hellmeister, H.P.

1980-01-01

Using 16 O, 19 F, and 12 C induced reactions high spin states in 78 Kr were excited. The targets consisted of 65 Cu, 69 Ni, and 68 Zn. On the base of gamma spectroscopic methods as γγ-coincidences, angular distributions and excitation functions a level scheme of 78 Kr is proposed. Four bands could be identified, which decay mostly by stretched E2-transitions. From recoil distance Doppler shift as well as Doppler shift attenuation measurements lifetimes of about 20 states were measured. The β-decay of the 103 keV isomeric state and the ground state in 78 Rb was observed and the half-lifes determined. Altogether a very good agreement of the level scheme and the E2- and E1-transition strength with predictions of the interacting boson model were found. Using a Monte Carlo code the γ-decay of the continuum of highly excited nuclei is described. Entry states, mean γ-energies, γ-spectra, mean multiplicities, multipolarities, and mean feeding times as well as e.g. their second moments were calculated for the reactions 58 Ni( 16 O,2p) 72 Se and 68 Zn( 12 C,2n) 78 Kr. The results are discussed and compared with experimental data. (HSI) [de

High resolution analysis of three bands of the electronic transition A{sup 2}Σ{sup +}-X{sup 2}Π of N{sub 2}O{sup +} radical: 100-000, 000-001, and 001-001

Energy Technology Data Exchange (ETDEWEB)

Lessa, L. L.; Cândido, S. D. de; Fellows, C. E., E-mail: fellows@if.uff.br [Departamento de Física, Instituto de Ciências Exatas – ICEx, Universidade Federal Fluminense, Campus do Aterrado, Volta Redonda, RJ 27213-415 (Brazil)

2014-06-07

In this article three vibrational bands of the electronic transition A{sup 2}Σ{sup +}-X{sup 2}Π of the N{sub 2}O{sup +} radical (100-000, 000-001, and 001-001) are analysed through high resolution Fourier transform spectroscopy. The N{sub 2}O{sup +} radical was produced by Penning ionization of N{sub 2}O by colliding with metastable atoms of He(2{sup 3}S) in a reaction chamber. The spectra was recorded in a spectral range of 24 500–30 000 cm{sup −1} and obtained from 200 coadded interferograms recorded at an apodized resolution of 0.08 cm{sup −1}. Through a recursive way, the wavenumbers of the correspondent rotational transitions were reduced into molecular constants, improving the values previously reported. New values for the first vibrational energies ν{sub 1}{sup ′}, ν{sub 3}{sup ″}, and ν{sub 3}{sup ′} are also obtained and compared with previous values reported in the literature.

Band gap opening in silicene on MgBr2(0001) induced by Li and Na

KAUST Repository

Zhu, Jiajie

2014-11-12

Silicene consists of a monolayer of Si atoms in a buckled honeycomb structure and is expected to be well compatible with the current Si-based technology. However, the band gap is strongly influenced by the substrate. In this context, the structural and electronic properties of silicene on MgBr2(0001) modified by Li and Na are investigated by first-principles calculations. Charge transfer from silicene (substrate) to substrate (silicene) is found for substitutional doping (intercalation). As compared to a band gap of 0.01 eV on the pristine substrate, strongly enhanced band gaps of 0.65 eV (substitutional doping) and 0.24 eV (intercalation) are achieved. The band gap increases with the dopant concentration.

New cascade laser transitions in CH2F2 pumped with the 9R32 line of a cw CO2 laser

International Nuclear Information System (INIS)

Nieswand, C.

1991-11-01

New cascade laser transitions of 12 CH 2 F 2 at 172.50μm, 208.83μm, 220.44μm, 223.99μm,and 250.61μm are reported. A waveguide FIR laser was pumped with a quasi cw 12 C 16 O 2 laser operating on the 9R32 line. Together with the already known lines at 184.3μm, 196.1μm and 235.9μm, the laser lines can be assigned to rotational transitions in the ν 9 vibrational band of 12 CH 2 F 2 and to refill transitions of the vibrational ground state ν 0 . 1 fig., 2 tabs., 6 refs. (author)

Electromagnetic transitions in nuclei between states with different deformation for the case H>=Ksub(iota)+Ksub(j)

International Nuclear Information System (INIS)

Kopanets, E.G.; Inopin, E.V.; Korda, L.P.

1980-01-01

Calculations of matrix elements of the electromagnetic transitions at the multipolarity L>Ksub(i)+Ksub(f), where Ksub(i) and Ksub(f) are the projections of the total moment of the final and initial states on the nucleus symmetry axis, have been carried out E2transitions between the low-lying levels -/ of the rotational bands of 23 Na, 29 P, 35 Cl and 37 Cl nuclei have been investigated. The ranges of the initial and final state deformation parameters are given at which a coincidence is observed between the calculated and experimental values of the probability of E2-transitions between the ground states of the rotational bands. A conclusion has been made that the theory and experiments can agree only on the assumption that changes in nucleus equilibrium deformation take place not only in the case of single-particle levels but also in the case of the same rotational band. This indicates to breaking the adiabatic approximation due to mixing the states with different K caused by the Coriolis interaction [ru

Measurement of ZnO/Al2O3 Heterojunction Band Offsets by in situ X-Ray Photoelectron Spectroscopy

International Nuclear Information System (INIS)

Lei Hong-Wen; Zhang Hong; Wang Xue-Min; Zhao Yan; Yan Da-Wei; Jiang Zhong-Qian; Yao Gang; Zeng Ti-Xian; Wu Wei-Dong

2013-01-01

ZnO films are grown on c-sapphire substrates by laser molecular beam epitaxy. The band offsets of the ZnO/Al 2 O 3 heterojunction are studied by in situ x-ray photoelectron spectroscopy. The valence band of Al 2 O 3 is found to be 3.59±0.05eV below that of ZnO. Together with the resulting conduction band offset of 2.04±0.05eV, this indicates that a type-I staggered band line exists at the ZnO/Al 2 O 3 heterojunction

Metal-insulator transition in Si(111)-(4 x 1)/(8 x 2)-In studied by optical spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Speiser, E.; Hinrichs, K.; Cobet, C.; Esser, N. [Leibniz-Institut fuer Analytische Wissenschaften - ISAS - e.V., Albert-Einstein-Str. 9, 12489 Berlin (Germany); Chandola, S. [Leibniz-Institut fuer Analytische Wissenschaften - ISAS - e.V., Albert-Einstein-Str. 9, 12489 Berlin (Germany); School of Physics, Trinity College Dublin 2 (Ireland); Gensch, M. [Helmholtz Zentrum Berlin (Germany); Wippermann, S.; Schmidt, W.G. [Theoretische Physik, Universitaet Paderborn (Germany); Bechstedt, F. [Institut fuer Festkoerpertheorie und -Optik, Friedrich-Schiller-Universitaet, Jena (Germany); Richter, W. [Dipartimento di Fisica, Universita di Roma Tor Vergata, Via della Ricerca Scientifica 1, 00133 Roma (Italy); Fleischer, K.; McGilp, J.F. [School of Physics, Trinity College Dublin 2 (Ireland)

2010-08-15

Measurements of the surface vibrational modes and optical response of Si(111)-(4 x 1)/(8 x 2)-In are compiled and a comparison to ab initio calculations performed within DFT-LDA formalism is given. Surface resonant Raman spectroscopy allows identifying a number of surface phonons with high spectral precision. The phase transition of the (4 x 1)-(8 x 2) surface structure is found to be accompanied by characteristic changes of the surface phonons, which are discussed with respect to various structural models suggested. The optical anisotropy of the (8 x 2) phase shows that the anisotropic Drude tail of the (4 x 1) phase is replaced by two peaks at 0.50 and 0.72 eV. The spectroscopic signatures of the (4 x 1) and (8 x 2) phases agree with a metal-insulator transition. The mid-IR-anisotropic optical response of the insulating (8 x 2) phase is interpreted in terms of electronic single particle excitations between surface electronic bands related to the In-nanowire surface. Comparison of the measured optical transitions with DFT ab initio calculations for the hexagon model and the trimer model of the (8 x 2) structure shows evidence for the existence of the hexagon structure. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

Band alignment studies of Al2O3/CuGaO2 and ZnO/CuGaO2 hetero-structures grown by pulsed laser deposition

International Nuclear Information System (INIS)

Ajimsha, R.S.; Das, Amit K.; Joshi, M.P.; Kukreja, L.M.

2014-01-01

Highlights: • Band offset studies at the interface of Al 2 O 3 /CuGaO 2 and ZnO/CuGaO 2 hetero-structures were performed using X-ray photoelectron spectroscopy. • Valance band offsets (VBO) of these hetero-structures were obtained from respective XPS peak positions and VB spectra using Kraut's equation. • Al 2 O 3 /CuGaO 2 interface exhibited a type I band alignment with valance band offset (VBO) of 4.05 eV whereas type II band alignment was observed in ZnO/CuGaO 2 hetero-structure with a VBO of 2.32 eV. • Schematic band alignment diagram for the interface of these hetero-structures has been constructed. • Band offset and alignment studies of these heterojunctions are important for gaining insight to the design of various optoelectronic devices based on such hetero-structures. - Abstract: We have studied the band offset and alignment of pulsed laser deposited Al 2 O 3 /CuGaO 2 and ZnO/CuGaO 2 hetero-structures using photoelectron spectroscopy. Al 2 O 3 /CuGaO 2 interface exhibited a type I band alignment with valance band offset (VBO) of 4.05 eV whereas type II band alignment was observed in ZnO/CuGaO 2 hetero-structure with a VBO of 2.32 eV. Schematic band alignment diagram for the interface of these hetero-structures has been constructed. Band offset and alignment studies of these heterojunctions are important for gaining insight to the design of various optoelectronic devices based on such hetero-structures

Quantum phase transitional patterns of nuclei

International Nuclear Information System (INIS)

Dai Lianrong; Wang Lixing; Pan Feng; Zhong Weiwei; Liu Qi

2013-01-01

With the framework of Interacting Boson Model (IBM), transitional patterns from the spherical to the axially deformed limit of the IBM with a schematic Hamiltonian are studied by replacing the SU (3) quadrupole-quadrupole term with O (6) cubic interaction. But, we use the two schemes to investigate some energy ratios and B (E2) ratios for different bosons N = 8 and N = 20. The results show that with the increasing of the numbers of bosons, the transitional behaviors can be enhanced; the transitional behaviors are very similar in the two schemes. However, there are some distinctive differences for some quantities across the entire transitional region, such as energy levels and ratios, B (E2) values and ratios, and expectation values of the shape variables. Generally speaking, the transition is smoother and the nuclear shape is less well defined in the new scheme. Then we apply the two schemes to the critical point symmetry candidate, such as 152 Sm, and find the overall fitting quality of the UQ scheme is better than that of the U (5)-SU (3) scheme, especially for the inter-band E2 transitions in 152 Sm. (authors)

High-pressure phase transition in Ho2O3

International Nuclear Information System (INIS)

Lonappan, Dayana; Shekar, N.V. Chandra; Ravindran, T.R.; Sahu, P. Ch.

2010-01-01

High-pressure X-ray diffraction and Raman studies on holmium sesquioxide (Ho 2 O 3 ) have been carried out up to a pressure of ∼17 GPa in a diamond-anvil cell at room temperature. Holmium oxide, which has a cubic or bixbyite structure under ambient conditions, undergoes an irreversible structural phase transition at around 9.5 GPa. The high-pressure phase has been identified to be low symmetry monoclinic type. The two phases coexist to up to about 16 GPa, above which the parent phase disappears. The high-pressure laser-Raman studies have revealed that the prominent Raman band ∼370 cm -1 disappears around the similar transition pressure. The bulk modulus of the parent phase is reported.

First analysis of the hybrid A/B-type 2ν8 band of C2HD3 and the Coriolis interactions with the ν3 + ν4 band by high-resolution FTIR spectroscopy

Science.gov (United States)

Ng, L. L.; Tan, T. L.; Chia, A. H.

2018-02-01

Using a Fourier transform infrared (FTIR) spectrometer, the spectrum of the 2ν8 band of ethylene-d3 (C2HD3) was measured between 1745 to 1905 cm-1 at an unapodized resolution of 0.0063 cm-1. For the first time, 1664 perturbed and unperturbed a- and b-type absorption lines of the band were recorded, assigned and fitted using the Watson's A-reduced Hamiltonian in the Ir representation to derive rovibrational constants up to four quartic terms for the v8 = 2 state. Three rotational constants of the v3 = v4 = 1 state were also derived for the first time in this work from the analysis of the a- and b-Coriolis resonances with the v8 = 2 state, together with a set of resonance parameters. The root-mean-square (rms) deviation of the FTIR fit was 0.0010 cm-1. The band centers of the 2ν8 and ν3 + ν4 bands were determined to be 1831.457508 ± 0.000071 cm-1 and 1812.629 ± 0.022 cm-1, respectively. A set of ground state rovibrational constants of C2HD3 up to five quartic constants was also derived with improved precision from a simultaneous fit of 377 ground state combination differences (GSCDs) from a-type infrared transitions of the present analysis and 906 GSCDs from the previous work on the C-type ν8 band, with an rms deviation of 0.00043 cm-1. The transition dipole moment ratio | μa/μb | was found to be 2.194 ± 0.072.

Optical properties of CuSe thin films - band gap determination

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Petrović Milica

2017-01-01

Full Text Available Copper selenide thin films of three different thicknesses have been prepared by vacuum evaporation method on a glass substrate at room temperature. The optical properties of the films were investigated by UV-VIS-NIR spectroscopy and photoluminescence spectroscopy. Surface morphology was investigated by field-emission scanning electron microscopy. Copper selenide exhibits both direct and indirect transitions. The band gap for direct transition is found to be ~2.7 eV and that for indirect transition it is ~1.70 eV. Photoluminescence spectra of copper selenide thin films have also been analyzed, which show emission peaks at 530, 550, and 760 nm. The latter corresponds to indirect transition in investigated material. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. III45003

Collision-induced absorption by D{sub 2} pairs in the first overtone band at 77, 201 and 298 K

Energy Technology Data Exchange (ETDEWEB)

Abu-Kharma, M.; Gillard, P.G.; Reddy, S.P. [Memorial University of Newfoundland, Dept. of Physics and Physical Oceanography, Newfoundland (Canada)

2006-01-15

Collision induced absorption (CIA) spectra of pure D{sub 2} in the first overtone region from 5250 to 7250 cm{sup -1}, recorded at 77, 201 and 298 K, have been analyzed. The observed spectra at 77, 201 and 298 K were modelled by a total of 92, 214 and 267 components respectively of double vibrational transitions at room temperature of the type X{sub 2}(J) +X{sub 0}(J) and X{sub 1}(J) + X{sub 1}(J), where X is O, Q or S transitions. Profile analyses of the spectra were carried out using the Birnbaum-Cohen line-shape function for the individual components of the band, and characteristic line shape parameters were determined from the analysis. The observed and calculated profiles agree well over the whole overtone band, and the agreement is better than 97% in the three cases studied. Binary and ternary absorption coefficients were determined from the integrated absorption of the band. (authors)

Band alignment of HfO{sub 2}/AlN heterojunction investigated by X-ray photoelectron spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Ye, Gang [School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Wang, Hong, E-mail: ewanghong@ntu.edu.sg [School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); CNRS-International-NTU-THALES Research Alliances/UMI 3288, 50 Nanyang Drive, Singapore 637553 (Singapore); Ji, Rong [Data Storage Institute, Agency for Science Technology and Research (A-STAR), Singapore 117608 (Singapore)

2016-04-18

The band alignment between AlN and Atomic-Layer-Deposited (ALD) HfO{sub 2} was determined by X-ray photoelectron spectroscopy (XPS). The shift of Al 2p core-levels to lower binding energies with the decrease of take-off angles θ indicated upward band bending occurred at the AlN surface. Based on the angle-resolved XPS measurements combined with numerical calculations, valence band discontinuity ΔE{sub V} of 0.4 ± 0.2 eV at HfO{sub 2}/AlN interface was determined by taking AlN surface band bending into account. By taking the band gap of HfO{sub 2} and AlN as 5.8 eV and 6.2 eV, respectively, a type-II band line-up was found between HfO{sub 2} and AlN.

Synthesis, characterization and computational studies of (E-2-{[(2-aminopyridin-3-ylimino]-methyl}-4,6-di-tert-butylphenol

Directory of Open Access Journals (Sweden)

Alexander Carreño

2014-01-01

Full Text Available (E-2-{[(2-Aminopyridin-3-ylimino]-methyl}-4,6-di-tert-butyl-phenol ( 3: , a ligand containing an intramolecular hydrogen bond, was prepared according to a previous literature report, with modifications, and was characterized by UV-vis, FTIR, ¹H-NMR, 13C-NMR, HHCOSY, TOCSY and cyclic voltammetry. Computational analyses at the level of DFT and TD-DFT were performed to study its electronic and molecular structures. The results of these analyses elucidated the behaviors of the UV-vis and electrochemical data. Analysis of the transitions in the computed spectrum showed that the most important band is primarily composed of a HOMO→LUMO transition, designated as an intraligand (IL charge transfer.

Size-tunable band alignment and optoelectronic properties of transition metal dichalcogenide van der Waals heterostructures

Science.gov (United States)

Zhao, Yipeng; Yu, Wangbing; Ouyang, Gang

2018-01-01

2D transition metal dichalcogenide (TMDC)-based heterostructures exhibit several fascinating properties that can address the emerging market of energy conversion and storage devices. Current achievements show that the vertical stacked TMDC heterostructures can form type II band alignment and possess significant optoelectronic properties. However, a detailed analytical understanding of how to quantify the band alignment and band offset as well as the optimized power conversion efficiency (PCE) is still lacking. Herein, we propose an analytical model to exhibit the PCEs of TMDC van der Waals (vdW) heterostructures and explore the intrinsic mechanism of photovoltaic conversion based on the detailed balance principle and atomic-bond-relaxation correlation mechanism. We find that the PCE of monolayer MoS2/WSe2 can be up to 1.70%, and that of the MoS2/WSe2 vdW heterostructures increases with thickness, owing to increasing optical absorption. Moreover, the results are validated by comparing them with the available evidence, providing realistic efficiency targets and design principles. Highlights • Both electronic and optoelectronic models are developed for vertical stacked MoS2/WSe2 heterostructures. • The underlying mechanism on size effect of electronic and optoelectronic properties for vertical stacked MoS2/WSe2 heterostructures is clarified. • The macroscopically measurable quantities and the microscopical bond identities are connected.

Phase coexistence in the metal-insulator transition of a VO2 thin film

International Nuclear Information System (INIS)

Chang, Y.J.; Koo, C.H.; Yang, J.S.; Kim, Y.S.; Kim, D.H.; Lee, J.S.; Noh, T.W.; Kim, Hyun-Tak; Chae, B.G.

2005-01-01

Vanadium dioxide (VO 2 ) shows a metal-insulator transition (MIT) near room temperature, accompanied by an abrupt resistivity change. Since the MIT of VO 2 is known to be a first order phase transition, it is valuable to check metallic and insulating phase segregation during the MIT process. We deposited (100)-oriented epitaxial VO 2 thin films on R-cut sapphire substrates. From the scanning tunneling spectroscopy (STS) spectra, we could distinguish metallic and insulating regions by probing the band gap. Optical spectroscopic analysis also supported the view that the MIT in VO 2 occurs through metal and insulator phase coexistence

The order-disorder transition in Cu2ZnSnS4: A theoretical and experimental study

International Nuclear Information System (INIS)

Quennet, Marcel; Ritscher, Anna; Lerch, Martin; Paulus, Beate

2017-01-01

In this work the Cu/Zn order-disorder transition in Cu 2 ZnSnS 4 kesterites on Wyckoff positions 2c and 2d was investigated by a structural and electronic analysis in theory and experiment. For experimental investigations stoichiometric samples with different Cu/Zn order, annealed in the temperature range of 473–623 K and afterwards quenched, were used. The optical gaps were determined using the Derivation of Absorption Spectrum Fitting (DASF) method. Furthermore, the order-disorder transition was examined by DFT calculations for a closer analysis of the origins of the reduced band gap, showing a good agreement with experimental data with respect to structural and electronic properties. Our studies show a slight increase of lattice parameter c in the kesterite lattice with increasing disorder. Additionally, a reduced band gap was observed with increasing disorder, which is an effect of newly occurring binding motifs in the disordered kesterite structure. - Highlights: • Experimental and theoretical investigation on the order-disorder transition in kesterites. • Slight enlargements of lattice constants due to disorder in experiment and theory. • Strong band gap fluctuations with decreasing order. • Electronic structure deviations due to changing binding motifs. • Disorder as possible main source of low open-circuit voltages.

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

International Nuclear Information System (INIS)

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

1988-01-01

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