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Sample records for valence band alignment

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-07-01

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

  2. Hole energy and momentum distributions in valence bands

    International Nuclear Information System (INIS)

    Laan, G. van der.

    1982-01-01

    In order to understand the electrical and magnetic properties of solids, the knowledge of the density of states and the dispersion relation of the valence bands is indispensable. This thesis offers some alternative methods to obtain information about the nature of the valence band. Part A deals with the energy distribution of the photoelectrons. A simple model, which explains the core hole satellite structure in compounds with large correlation effects between the valence band holes and the created photo-hole, is outlined. CuCl, CuX 2 (X = F Cl and Br) are studied, by photoemission and Auger electron spectroscopies in determining the valence band properties. Part B deals with the simultaneous measurement of the energy and the wave vector of the emitted electrons. A practical example is given for the determination of the dispersion relation in copper. The measurements of a surface resonance band and the distribution of the secondary electrons are also reported. (Auth.)

  3. The Synthesis of NiO/TiO2 Heterostructures and Their Valence Band Offset Determination

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    Z. H. Ibupoto

    2014-01-01

    Full Text Available In this work, a heterojunction based on p-type NiO/n-type TiO2 nanostructures has been prepared on the fluorine doped tin oxide (FTO glass substrate by hydrothermal method. Scanning electron microscopy (SEM and X-Ray diffraction techniques were used for the morphological and crystalline arrays characterization. The X-ray photoelectron spectroscopy was employed to determine the valence-band offset (VBO of the NiO/TiO2 heterojunction prepared on FTO glass substrate. The core levels of Ni 2p and Ti 2p were utilized to align the valence-band offset of p-type NiO/n-type TiO2 heterojunction. The valence band offset was found to be ∼0.41 eV and the conduction band was calculated about ∼0.91 eV. The ratio of conduction band offset and the valence-band offset was found to be 2.21.

  4. Optical verification of the valence band structure of cadmium arsenide

    NARCIS (Netherlands)

    Gelten, M.J.; Es, van C.M.; Blom, F.A.P.; Jongeneelen, J.W.F.

    1980-01-01

    Optical absorption measurements were performed on thin single crystalline samples of Cd3As2 at temperatures of 300 K and 10 K. At low temperature the interband absorption coefficient shows clearly two steps due to direct transitions from the heavy hole and light hole valence bands to the conduction

  5. Valence band photoemission studies of clean metals

    International Nuclear Information System (INIS)

    Wehner, P.S.

    1978-04-01

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

  6. Valence band offset of wurtzite InN/SrTiO3 heterojunction measured by x-ray photoelectron spectroscopy

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    Li Zhiwei

    2011-01-01

    Full Text Available Abstract The valence band offset (VBO of wurtzite indium nitride/strontium titanate (InN/SrTiO3 heterojunction has been directly measured by x-ray photoelectron spectroscopy. The VBO is determined to be 1.26 ± 0.23 eV and the conduction band offset is deduced to be 1.30 ± 0.23 eV, indicating the heterojunction has a type-I band alignment. The accurate determination of the valence and conduction band offsets paves a way to the applications of integrating InN with the functional oxide SrTiO3.

  7. Measurement of valence band structure in arbitrary dielectric films

    International Nuclear Information System (INIS)

    Uhm, Han S.; Choi, Eun H.

    2012-01-01

    A new way of measuring the band structure of various dielectric materials using the secondary electron emission from Auger neutralization of ions is introduced. The first example of this measurement scheme is the magnesium oxide (MgO) films with respect to the application of the films in the display industries. The density of state in the valence bands of MgO film and MgO film with a functional layer (FL) deposited over a dielectric surface reveals that the density peak of film with a FL is considerably less than that of film, thereby indicating a better performance of MgO film with functional layer in display devices. The second example of the measurement is the boron-zinc oxide (BZO) films with respect to the application of the films to the development of solar cells. The measurement of density of state in BZO film suggests that a high concentration of boron impurity in BZO films may enhance the transition of electrons and holes through the band gap from the valence to the conduction band in zinc oxide crystals; thereby improving the conductivity of the film. Secondary electron emission by the Auger neutralization of ions is highly instrumental for the determination of the density of states in the valence band of dielectric materials.

  8. Spectroscopic determination of valence band parameters in InP

    International Nuclear Information System (INIS)

    Lewis, R.A.; Lough, B.C.C.

    2003-01-01

    Full text: The general form of the Hamiltonian for an electron or hole in a semiconductor has been given by Luttinger. The valence band is characterised by three parameters - γ 1 , γ 2 , γ 3 -now commonly known as the Luttinger parameters. Despite many investigations there is still considerable uncertainty regarding the Luttinger parameters of InP. The situation has been reviewed by Hackenberg et al. These authors themselves sought to determine the Luttinger parameters by hot-electron luminescence and discovered that many Luttinger parameter triplets were consistent with their data. We employ a spectroscopic approach to estimating valence-band parameters in InP. Calculations have been made for both the unperturbed energy levels and the energy levels in a magnetic field of acceptor impurities in semiconductors characterised by different Luttinger parameters. We compare our recent experimental data for the transitions associated with the Zn acceptor impurity in InP in magnetic fields up to 30 T to determine the most appropriate set of valence-band parameters for InP

  9. Relaxation and cross section effects in valence band photoemission spectroscopy

    International Nuclear Information System (INIS)

    McFeely, F.R.

    1976-09-01

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

  10. Determination of valence band parameters in ZnTe

    Energy Technology Data Exchange (ETDEWEB)

    Froehlich, D.; Noethe, A.; Reimann, K. (Duesseldorf Univ. (Germany, F.R.). Physikalisches Inst. - Lehrstuhl 2)

    1984-10-01

    The fine structure of the 2P exciton in ZnTe is studied by two-photon-absorption. The energy splitting into four states, caused by the envelope-hole coupling, allows the determination of the Luttinger parameters ..gamma../sub 2/ and ..gamma../sub 3/, which describe the complex valence band. ..gamma../sub 2/ = 0.8 and ..gamma../sub 3/ = 1.7 are obtained. These values are compared to results of other experiments mainly on 1S excitons.

  11. Valence band electronic structure of Pd based ternary chalcogenide superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Lohani, H. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India); Mishra, P. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Goyal, R.; Awana, V.P.S. [National Physical Laboratory(CSIR), Dr. K. S. Krishnan Road, New Delhi 110012 (India); Sekhar, B.R., E-mail: sekhar@iopb.res.in [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India)

    2016-12-15

    Highlights: • VB Photoemission study and DFT calculations on Pd based ternary superconductors are presented. • Nb{sub 2}Pd{sub 0.95}S{sub 5} shows a temperature dependent pseudogap. • VB spectral features of ternary superconductors are correlated to their structural geometry. - Abstract: We present a comparative study of the valence band electronic structure of Pd based ternary chalcogenide superconductors Nb{sub 2}Pd{sub 0.95}S{sub 5}, Ta{sub 2}Pd{sub 0.97}S{sub 6} and Ta{sub 2}Pd{sub 0.97}Te{sub 6} using experimental photoemission spectroscopy and density functional based theoretical calculations. We observe a qualitatively similarity between valence band (VB) spectra of Nb{sub 2}Pd{sub 0.95}S{sub 5} and Ta{sub 2}Pd{sub 0.97}S{sub 6}. Further, we find a pseudogap feature in Nb{sub 2}Pd{sub 0.95}S{sub 5} at low temperature, unlike other two compounds. We have correlated the structural geometry with the differences in VB spectra of these compounds. The different atomic packing in these compounds could vary the strength of inter-orbital hybridization among various atoms which leads to difference in their electronic structure as clearly observed in our DOS calculations.

  12. Band alignment of type I at (100ZnTe/PbSe interface

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    Igor Konovalov

    2016-06-01

    Full Text Available A junction of lattice-matched cubic semiconductors ZnTe and PbSe results in a band alignment of type I so that the narrow band gap of PbSe is completely within the wider band gap of ZnTe. The valence band offset of 0.27 eV was found, representing a minor barrier during injection of holes from PbSe into ZnTe. Simple linear extrapolation of the valence band edge results in a smaller calculated band offset, but a more elaborate square root approximation was used instead, which accounts for parabolic bands. PbSe was electrodeposited at room temperature with and without Cd2+ ions in the electrolyte. Although Cd adsorbs at the surface, the presence of Cd in the electrolyte does not influence the band offset.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-06-15

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

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-04-15

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

  16. Valence and conduction band offsets of β-Ga2O3/AlN heterojunction

    Science.gov (United States)

    Sun, Haiding; Torres Castanedo, C. G.; Liu, Kaikai; Li, Kuang-Hui; Guo, Wenzhe; Lin, Ronghui; Liu, Xinwei; Li, Jingtao; Li, Xiaohang

    2017-10-01

    Both β-Ga2O3 and wurtzite AlN have wide bandgaps of 4.5-4.9 and 6.1 eV, respectively. We calculated the in-plane lattice mismatch between the (-201) plane of β-Ga2O3 and the (0002) plane of AlN, which was found to be 2.4%. This is the smallest mismatch between β-Ga2O3 and binary III-nitrides which is beneficial for the formation of a high quality β-Ga2O3/AlN heterojunction. However, the valence and conduction band offsets (VBO and CBO) at the β-Ga2O3/AlN heterojunction have not yet been identified. In this study, a very thin (less than 2 nm) β-Ga2O3 layer was deposited on an AlN/sapphire template to form the heterojunction by pulsed laser deposition. High-resolution X-ray photoelectron spectroscopy revealed the core-level (CL) binding energies of Ga 3d and Al 2p with respect to the valence band maximum in individual β-Ga2O3 and AlN layers, respectively. The separation between Ga 3d and Al 2p CLs at the β-Ga2O3/AlN interface was also measured. Eventually, the VBO was found to be -0.55 ± 0.05 eV. Consequently, a staggered-gap (type II) heterojunction with a CBO of -1.75 ± 0.05 eV was determined. The identification of the band alignment of the β-Ga2O3/AlN heterojunction could facilitate the design of optical and electronic devices based on these and related alloys.

  17. Valence and conduction band offsets of β-Ga2O3/AlN heterojunction

    KAUST Repository

    Sun, Haiding

    2017-10-16

    Both β-Ga2O3 and wurtzite AlN have wide bandgaps of 4.5–4.9 and 6.1 eV, respectively. We calculated the in-plane lattice mismatch between the (−201) plane of β-Ga2O3 and the (0002) plane of AlN, which was found to be 2.4%. This is the smallest mismatch between β-Ga2O3 and binary III-nitrides which is beneficial for the formation of a high quality β-Ga2O3/AlN heterojunction. However, the valence and conduction band offsets (VBO and CBO) at the β-Ga2O3/AlN heterojunction have not yet been identified. In this study, a very thin (less than 2 nm) β-Ga2O3 layer was deposited on an AlN/sapphire template to form the heterojunction by pulsed laser deposition. High-resolution X-ray photoelectron spectroscopy revealed the core-level (CL) binding energies of Ga 3d and Al 2p with respect to the valence band maximum in individual β-Ga2O3 and AlN layers, respectively. The separation between Ga 3d and Al 2p CLs at the β-Ga2O3/AlN interface was also measured. Eventually, the VBO was found to be −0.55 ± 0.05 eV. Consequently, a staggered-gap (type II) heterojunction with a CBO of −1.75 ± 0.05 eV was determined. The identification of the band alignment of the β-Ga2O3/AlN heterojunction could facilitate the design of optical and electronic devices based on these and related alloys.

  18. Determination of band alignment in the single-layer MoS2/WSe2 heterojunction

    KAUST Repository

    Chiu, Ming-Hui

    2015-07-16

    The emergence of two-dimensional electronic materials has stimulated proposals of novel electronic and photonic devices based on the heterostructures of transition metal dichalcogenides. Here we report the determination of band offsets in the heterostructures of transition metal dichalcogenides by using microbeam X-ray photoelectron spectroscopy and scanning tunnelling microscopy/spectroscopy. We determine a type-II alignment between MoS2 and WSe2 with a valence band offset value of 0.83 eV and a conduction band offset of 0.76 eV. First-principles calculations show that in this heterostructure with dissimilar chalcogen atoms, the electronic structures of WSe2 and MoS2 are well retained in their respective layers due to a weak interlayer coupling. Moreover, a valence band offset of 0.94 eV is obtained from density functional theory, consistent with the experimental determination.

  19. Determination of band alignment in the single-layer MoS2/WSe2 heterojunction

    KAUST Repository

    Chiu, Ming-Hui; Zhang, Chendong; Shiu, Hung-Wei; Chuu, Chih-Piao; Chen, Chang-Hsiao; Chang, Chih-Yuan S.; Chen, Chia-Hao; Chou, Mei-Yin; Shih, Chih-Kang; Li, Lain-Jong

    2015-01-01

    The emergence of two-dimensional electronic materials has stimulated proposals of novel electronic and photonic devices based on the heterostructures of transition metal dichalcogenides. Here we report the determination of band offsets in the heterostructures of transition metal dichalcogenides by using microbeam X-ray photoelectron spectroscopy and scanning tunnelling microscopy/spectroscopy. We determine a type-II alignment between MoS2 and WSe2 with a valence band offset value of 0.83 eV and a conduction band offset of 0.76 eV. First-principles calculations show that in this heterostructure with dissimilar chalcogen atoms, the electronic structures of WSe2 and MoS2 are well retained in their respective layers due to a weak interlayer coupling. Moreover, a valence band offset of 0.94 eV is obtained from density functional theory, consistent with the experimental determination.

  20. 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.

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

    International Nuclear Information System (INIS)

    Nguyen Ai Viet; Nguyen Toan Thang.

    1987-06-01

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

  2. Determination of conduction and valence band electronic structure ...

    Indian Academy of Sciences (India)

    shifts in the rutile Ti d-band to lower energy with respect to anatase, i.e., ... requires excitation with UV light due to its wide band ... RIXS maps were compared to the theoretical results .... optical methods are insufficient, such as dark samples.

  3. Ab initio calculation of band alignment of epitaxial La2O3 on Si(111 substrate

    Directory of Open Access Journals (Sweden)

    Alberto Debernardi

    2015-08-01

    Full Text Available By means of plane wave pseudopotential method we have studied the electronic properties of the heterostructure formed by an high dielectric constant (k oxide, the hexagonal La2O3 epitaxially grown with (0001-orientation on Si (111 substrate. We found that for La2O3 both the dielectric constant along the growth direction and the band gap are larger in the epitaxial film than in the bulk. By super-cell techniques we have computed the band alignment of the junction finding a valence band offset and a conduction band offset of ~1.6 eV and ~1.7 eV respectively. We demonstrate that the band alignment can be engineered by δ-doping the interface: our simulations show that, by doping the interface with S or Se monolayer, the valence (conduction band offset increases (decreases of about 0.5 eV without the formation of spurious electronic states in the semiconductor band-gap. The simulation of the critical thickness of pseudomorphic Lanthana film complete the work. Our results are relevant for the realization of a new generation of devices based on ultra-scaled complementary metal oxides semiconductors (CMOS technology.

  4. Band alignment of two-dimensional metal monochalcogenides MXs (M=Ga,In; X=S,Se,Te

    Directory of Open Access Journals (Sweden)

    Huazheng Sun

    2017-09-01

    Full Text Available Monolayer metal monochalcogenides MXs (M=Ga,In; X=S,Se,Te form a new class of two-dimensional semiconductors with indirect band gaps, and their band alignment information is investigated via first principles calculations. The dependence of band gap, valence-band maximum, conduction band minimum, and charge transfer on the M or X element has been obtained and can be understood from the orbital analysis of the band edges. Potential applications of metal monochalcogenides to design van der Waals heterostructures and catalyse the photo-splitting reaction of water have been discussed.

  5. 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

  6. Band alignment of TiO{sub 2}/FTO interface determined by X-ray photoelectron spectroscopy: Effect of annealing

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Haibo, E-mail: hbfan@nwu.edu.cn, E-mail: liusz@snnu.edu.cn [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); School of Physics, Northwest University, Xi’an 710069 (China); Yang, Zhou; Ren, Xianpei; Gao, Fei [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); Yin, Mingli [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); School of Science, Xi’an Technological University, Xi’an, Shaanxi 710062 (China); Liu, Shengzhong, E-mail: hbfan@nwu.edu.cn, E-mail: liusz@snnu.edu.cn [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); Dalian Institute of Chemical Physics, Dalian National Laboratory for Clean Energy, Chinese Academy of Sciences, Dalian, 116023 (China)

    2016-01-15

    The energy band alignment between pulsed-laser-deposited TiO{sub 2} and FTO was firstly characterized using high-resolution X-ray photoelectron spectroscopy. A valence band offset (VBO) of 0.61 eV and a conduction band offset (CBO) of 0.29 eV were obtained across the TiO{sub 2}/FTO heterointerface. With annealing process, the VBO and CBO across the heterointerface were found to be -0.16 eV and 1.06 eV, respectively, with the alignment transforming from type-I to type-II. The difference in the band alignment is believed to be dominated by the core level down-shift of the FTO substrate, which is a result of the oxidation of Sn. Current-voltage test has verified that the band alignment has a significant effect on the current transport of the heterojunction.

  7. Band alignment of TiO2/FTO interface determined by X-ray photoelectron spectroscopy: Effect of annealing

    Directory of Open Access Journals (Sweden)

    Haibo Fan

    2016-01-01

    Full Text Available The energy band alignment between pulsed-laser-deposited TiO2 and FTO was firstly characterized using high-resolution X-ray photoelectron spectroscopy. A valence band offset (VBO of 0.61 eV and a conduction band offset (CBO of 0.29 eV were obtained across the TiO2/FTO heterointerface. With annealing process, the VBO and CBO across the heterointerface were found to be -0.16 eV and 1.06 eV, respectively, with the alignment transforming from type-I to type-II. The difference in the band alignment is believed to be dominated by the core level down-shift of the FTO substrate, which is a result of the oxidation of Sn. Current-voltage test has verified that the band alignment has a significant effect on the current transport of the heterojunction.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-15

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

  9. Electron Band Alignment at Interfaces of Semiconductors with Insulating Oxides: An Internal Photoemission Study

    Directory of Open Access Journals (Sweden)

    Valeri V. Afanas'ev

    2014-01-01

    Full Text Available Evolution of the electron energy band alignment at interfaces between different semiconductors and wide-gap oxide insulators is examined using the internal photoemission spectroscopy, which is based on observations of optically-induced electron (or hole transitions across the semiconductor/insulator barrier. Interfaces of various semiconductors ranging from the conventional silicon to the high-mobility Ge-based (Ge, Si1-xGex, Ge1-xSnx and AIIIBV group (GaAs, InxGa1-xAs, InAs, GaP, InP, GaSb, InSb materials were studied revealing several general trends in the evolution of band offsets. It is found that in the oxides of metals with cation radii larger than ≈0.7 Å, the oxide valence band top remains nearly at the same energy (±0.2 eV irrespective of the cation sort. Using this result, it becomes possible to predict the interface band alignment between oxides and semiconductors as well as between dissimilar insulating oxides on the basis of the oxide bandgap width which are also affected by crystallization. By contrast, oxides of light elements, for example, Be, Mg, Al, Si, and Sc exhibit significant shifts of the valence band top. General trends in band lineup variations caused by a change in the composition of semiconductor photoemission material are also revealed.

  10. 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.

  11. Valence band variation in Si (110) nanowire induced by a covered insulator

    International Nuclear Information System (INIS)

    Hong-Hua, Xu; Xiao-Yan, Liu; Yu-Hui, He; Gang, Du; Ru-Qi, Han; Jin-Feng, Kang; Chun, Fan; Ai-Dong, Sun

    2010-01-01

    In this work, we investigate strain effects induced by the deposition of gate dielectrics on the valence band structures in Si (110) nanowire via the simulation of strain distribution and the calculation of a generalized 6×6k·p strained valence band. The nanowire is surrounded by the gate dielectric. Our simulation indicates that the strain of the amorphous SiO 2 insulator is negligible without considering temperature factors. On the other hand, the thermal residual strain in a nanowire with amorphous SiO 2 insulator which has negligible lattice misfit strain pushes the valence subbands upwards by chemical vapour deposition and downwards by thermal oxidation treatment. In contrast with the strain of the amorphous SiO 2 insulator, the strain of the HfO 2 gate insulator in Si (110) nanowire pushes the valence subbands upwards remarkably. The thermal residual strain by HfO 2 insulator contributes to the up-shifting tendency. Our simulation results for valence band shifting and warping in Si nanowires can provide useful guidance for further nanowire device design. (classical areas of phenomenology)

  12. Rotational bands terminating at maximal spin in the valence space

    Energy Technology Data Exchange (ETDEWEB)

    Ragnarsson, I.; Afanasjev, A.V. [Lund Institute of Technology (Sweden)

    1996-12-31

    For nuclei with mass A {le} 120, the spin available in {open_quotes}normal deformation configurations{close_quotes} is experimentally accessible with present detector systems. Of special interest are the nuclei which show collective features at low or medium-high spin and where the corresponding rotational bands with increasing spin can be followed in a continuous way to or close to a non-collective terminating state. Some specific features in this context are discussed for nuclei in the A = 80 region and for {sup 117,118}Xe.

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

    Science.gov (United States)

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

    2017-12-01

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

  14. Giant Cu 2p Resonances in CuO Valence-Band Photoemission

    NARCIS (Netherlands)

    Tjeng, L.H.; Chen, C.T.; Ghijsen, J.; Rudolf, P.; Sette, F.

    1991-01-01

    We report the observation of a giant resonance in the Cu 2p resonant-photoemission spectra of CuO. The study allows the unambiguous identification of the local Cu 3d8 configuration in the valence-band photoemission spectrum, providing conclusive evidence for the charge-transfer nature of the

  15. Tunneling emission of electrons from semiconductors' valence bands in high electric fields

    International Nuclear Information System (INIS)

    Kalganov, V. D.; Mileshkina, N. V.; Ostroumova, E. V.

    2006-01-01

    Tunneling emission currents of electrons from semiconductors to vacuum (needle-shaped GaAs photodetectors) and to a metal (silicon metal-insulator-semiconductor diodes with a tunneling-transparent insulator layer) are studied in high and ultrahigh electric fields. It is shown that, in semiconductors with the n-type conductivity, the major contribution to the emission current is made by the tunneling emission of electrons from the valence band of the semiconductor, rather than from the conduction band

  16. Valence Band Structure of InAs1-xBix and InSb1-xBix Alloy Semiconductors Calculated Using Valence Band Anticrossing Model

    Directory of Open Access Journals (Sweden)

    D. P. Samajdar

    2014-01-01

    Full Text Available The valence band anticrossing model has been used to calculate the heavy/light hole and spin-orbit split-off energies in InAs1-xBix and InSb1-xBix alloy systems. It is found that both the heavy/light hole, and spin-orbit split E+ levels move upwards in energy with an increase in Bi content in the alloy, whereas the split E− energy for the holes shows a reverse trend. The model is also used to calculate the reduction of band gap energy with an increase in Bi mole fraction. The calculated values of band gap variation agree well with the available experimental data.

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

    International Nuclear Information System (INIS)

    Yamane, Hiroyuki; Kosugi, Nobuhiro

    2015-01-01

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

  18. Crossover and valence band Kβ X-rays of chromium oxides

    International Nuclear Information System (INIS)

    Fazinic, Stjepko; Mandic, Luka; Kavcic, Matjaz; Bozicevic, Iva

    2011-01-01

    Kβ X-ray spectra of chromium metal and selected chromium oxides were measured twice using medium resolution flat crystal spectrometer and high resolution spectrometer employing Johansson geometry after excitation with 2 MeV proton beams. The positions and intensities of crossover (Kβ'') and valence (Kβ 2,5 ) band X-rays relative to the primary Kβ X-ray components were extracted in a consistent way. The results were compared with the existing data obtained by proton and photon induced ionization mechanisms and theoretical predictions. The obtained results in peak relative positions and intensities were analyzed in order to study dependence on the chromium oxidation states and chromium-oxygen bond lengths in selected chromium oxides. Our results obtained by both spectrometers confirm that the linear trend observed for the valence peak relative energy shift as a function of chromium oxidation number does not depend on the experimental resolution. Experimental results for normalized intensities (i.e. relative intensities divided with the number of chromium-oxygen pairs) of crossover and valence band X-rays obtained by both spectrometers are in very good agreement, and follow exponential relationship with the average Cr-O bond lengths in corresponding chromium oxides. The observed trends in crossover and valence X-rays normalized intensities could be used to measure the average chromium-oxygen bond length in various chromium oxides, with the sum of both crossover and valence X-ray normalized intensities being the most sensitive measure.

  19. 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

  20. First-principle natural band alignment of GaN / dilute-As GaNAs alloy

    Directory of Open Access Journals (Sweden)

    Chee-Keong Tan

    2015-01-01

    Full Text Available Density functional theory (DFT calculations with the local density approximation (LDA functional are employed to investigate the band alignment of dilute-As GaNAs alloys with respect to the GaN alloy. Conduction and valence band positions of dilute-As GaNAs alloy with respect to the GaN alloy on an absolute energy scale are determined from the combination of bulk and surface DFT calculations. The resulting GaN / GaNAs conduction to valence band offset ratio is found as approximately 5:95. Our theoretical finding is in good agreement with experimental observation, indicating the upward movements of valence band at low-As content dilute-As GaNAs are mainly responsible for the drastic reduction of the GaN energy band gap. In addition, type-I band alignment of GaN / GaNAs is suggested as a reasonable approach for future device implementation with dilute-As GaNAs quantum well, and possible type-II quantum well active region can be formed by using InGaN / dilute-As GaNAs heterostructure.

  1. Instanton contributions to the valence band of the double Sine-Gordon potential

    International Nuclear Information System (INIS)

    Ricotta, R.M.; Escobar, C.O.

    1982-01-01

    The energy dispersion relation for the valence band of the double sine-Gordon potential is calculated, approximating the tunneling amplitude by a sum of contributions of multi-instantons and anti-instatons trajectories. The interesting feature of this potential is that they have to deal with two types of instantons, as there are two different potential barriers within one period of the potential. The results with the standard WKB approximation are compared. (Author) [pt

  2. 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.

  3. 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.

  4. Calculation of band alignments and quantum confinement effects in zero- and one-dimensional pseudomorphic structures

    International Nuclear Information System (INIS)

    Yang, M.; Sturm, J.C.; Prevost, J.

    1997-01-01

    The strain field distributions and band lineups of zero-dimensional and one-dimensional strained pseudomorphic semiconductor particles inside a three-dimensional matrix of another semiconductor have been studied. The resulting strain in the particle and the matrix leads to band alignments considerably different from that in the conventional two-dimensional (2D) pseudomorphic growth case. The models are first applied to an ideal spherical and cylindrical Si 1-x Ge x particle in a large Si matrix. In contrast to the 2D case, the band alignments for both structures are predicted to be strongly type II, where the conduction-band edge and the valence-band edge of the Si matrix are both significantly lower than those in the Si 1-x Ge x inclusion, respectively. Band lineups and the lowest electron endash heavy-hole transition energies of a pseudomorphic V-groove Si 1-x Ge x quantum wire inside a large Si matrix have been calculated numerically for different size structures. The photoluminescence energies of a large Si 1-x Ge x V-groove structure on Si will be lower than those of conventional 2D strained Si 1-x Ge x for similar Ge contents. copyright 1997 The American Physical Society

  5. Accounting for many-body correlation effects in the calculation of the valence band photoelectron emission spectra of ferromagnets

    International Nuclear Information System (INIS)

    Minar, J.; Chadov, S.; Ebert, H.; Chioncel, L.; Lichtenstein, A.; De Nadai, C.; Brookes, N.B.

    2005-01-01

    The influence of dynamical correlation effects on the valence band photoelectron emission of ferromagnetic Fe, Co and Ni has been investigated. Angle-resolved as well as angle-integrated valence band photoelectron emission spectra were calculated on the basis of the one-particle Green's function, which was obtained by using the fully relativistic Korringa-Kohn-Rostoker method. The correlation effects have been included in terms of the electronic self-energy which was calculated self-consistently within Dynamical Mean-Field Theory (DMFT). In addition a theoretical approach to calculate high-energy angle-resolved valence band photoelectron emission spectra is presented

  6. On the theory of phonoriton in cubic semiconductors with a degenerate valence band

    International Nuclear Information System (INIS)

    Nguyen Ai Viet; Nguyen Thi Que Huong; Le Qui Thong

    1992-10-01

    The ''phonoriton'' is an elementary excitation constructed from an exciton polariton and phonon in semiconductors under intense excitation by an electromagnetic wave near the exciton resonance (L.V. Keldysh and A.L. Ivanov, 1982). In this paper we develop a theory of phonoriton in direct band gap cubic semiconductor with a degenerate valence band using the simple model of J.L. Birman and B.S. Wang (1990). In addition to experimental proofs of the existence of phonoriton we propose an experiment to measure its flight time. (author). 33 refs

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

    International Nuclear Information System (INIS)

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

    2013-01-01

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

  8. Band width and multiple-angle valence-state mapping of diamond

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez, I.; Terminello, L.J.; Sutherland, D.G.J. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    The band width may be considered the single most important parameter characterizing the electronic structure of a solid. The ratio of band width and Coulomb repulsion determines how correlated or delocalized an electron system is. Some of the most interesting solids straddle the boundary between localized and delocalized, e.g. the high-temperature superconductors. The bulk of the band calculations available today is based on local density functional (DF) theory. Even though the Kohn-Sham eigenvalues from that theory do not represent the outcome of a band-mapping experiment, they are remarkably similar to the bands mapped via photoemission. Strictly speaking, one should use an excited state calculation that takes the solid`s many-body screening response to the hole created in photoemission into account. Diamond is a useful prototype semiconductor because of its low atomic number and large band width, which has made it a long-time favorite for testing band theory. Yet, the two experimental values of the band width of diamond have error bars of {+-}1 eV and differ by 3.2 eV. To obtain an accurate valence band width for diamond, the authors use a band-mapping method that collects momentum distributions instead of the usual energy distributions. This method has undergone extensive experimental and theoretical tests in determining the band width of lithium fluoride. An efficient, imaging photoelectron spectrometer is coupled with a state-of-the-art undulator beam line at the Advanced Light Source to allow collection of a large number of data sets. Since it takes only a few seconds to take a picture of the photoelectrons emitted into a 84{degrees} cone, the authors can use photon energies as high as 350 eV where the cross section for photoemission from the valence band is already quite low, but the emitted photoelectrons behave free-electron-like. This make its much easier to locate the origin of the inter-band transitions in momentum space.

  9. Band width and multiple-angle valence-state mapping of diamond

    International Nuclear Information System (INIS)

    Jimenez, I.; Terminello, L.J.; Sutherland, D.G.J.

    1997-01-01

    The band width may be considered the single most important parameter characterizing the electronic structure of a solid. The ratio of band width and Coulomb repulsion determines how correlated or delocalized an electron system is. Some of the most interesting solids straddle the boundary between localized and delocalized, e.g. the high-temperature superconductors. The bulk of the band calculations available today is based on local density functional (DF) theory. Even though the Kohn-Sham eigenvalues from that theory do not represent the outcome of a band-mapping experiment, they are remarkably similar to the bands mapped via photoemission. Strictly speaking, one should use an excited state calculation that takes the solid's many-body screening response to the hole created in photoemission into account. Diamond is a useful prototype semiconductor because of its low atomic number and large band width, which has made it a long-time favorite for testing band theory. Yet, the two experimental values of the band width of diamond have error bars of ±1 eV and differ by 3.2 eV. To obtain an accurate valence band width for diamond, the authors use a band-mapping method that collects momentum distributions instead of the usual energy distributions. This method has undergone extensive experimental and theoretical tests in determining the band width of lithium fluoride. An efficient, imaging photoelectron spectrometer is coupled with a state-of-the-art undulator beam line at the Advanced Light Source to allow collection of a large number of data sets. Since it takes only a few seconds to take a picture of the photoelectrons emitted into a 84 degrees cone, the authors can use photon energies as high as 350 eV where the cross section for photoemission from the valence band is already quite low, but the emitted photoelectrons behave free-electron-like. This make its much easier to locate the origin of the inter-band transitions in momentum space

  10. Optical gain and gain suppression of quantum-well lasers with valence band mixing

    International Nuclear Information System (INIS)

    Ahn, D.; Chuang, S.L.

    1990-01-01

    The effects of valence band mixing on the nonlinear gains of quantum-well lasers are studied theoretically. The authors' analysis is based on the multiband effective-mass theory and the density matrix formalism with intraband relaxation taken into account. The gain and the gain-suppression coefficient of a quantum-well laser are calculated from the complex optical susceptibility obtained by the density matrix formulation with the theoretical dipole moments obtained from the multiband effective-mass theory. The calculated gain spectrum shows that there are remarkable differences (both in peak amplitude and spectral shape) between our model with valence band mixing and the conventional parabolic band model. The shape of the gain spectrum calculated by the authors' model becomes more symmetric due to intraband relaxation together with nonparabolic energy dispersions and is closer to the experimental observations when compared with the conventional method using the parabolic band model and the multiband effective-mass calculation without intraband relaxation. Both give quite asymmetric gain spectra. Optical intensity in the GaAs active region is estimated by solving rate equations for the stationary states with nonlinear gain suppression. The authors calculate the mode gain for the resonant mode including the gain suppression, which results in spectral hole burning of the gain spectrum

  11. Convergence of valence bands for high thermoelectric performance for p-type InN

    International Nuclear Information System (INIS)

    Li, Hai-Zhu; Li, Ruo-Ping; Liu, Jun-Hui; Huang, Ming-Ju

    2015-01-01

    Band engineering to converge the bands to achieve high valley degeneracy is one of effective approaches for designing ideal thermoelectric materials. Convergence of many valleys in the valence band may lead to a high Seebeck coefficient, and induce promising thermoelectric performance of p-type InN. In the current work, we have systematically investigated the electronic structure and thermoelectric performance of wurtzite InN by using the density functional theory combined with semiclassical Boltzmann transport theory. Form the results, it can be found that intrinsic InN has a large Seebeck coefficient (254 μV/K) and the largest value of Z e T is 0.77. The transport properties of p-type InN are better than that of n-type one at the optimum carrier concentration, which mainly due to the large Seebeck coefficient for p-type InN, although the electrical conductivity of n-type InN is larger than that of p-type one. We found that the larger Seebeck coefficient for p-type InN may originate from the large valley degeneracy in the valence band. Moreover, the low minimum lattice thermal conductivity for InN is one key factor to become a good thermoelectric material. Therefore, p-type InN could be a potential material for further applications in the thermoelectric area.

  12. Band Alignment of 2D Transition Metal Dichalcogenide Heterojunctions

    KAUST Repository

    Chiu, Ming-Hui

    2016-09-20

    It is critically important to characterize the band alignment in semiconductor heterojunctions (HJs) because it controls the electronic and optical properties. However, the well-known Anderson\\'s model usually fails to predict the band alignment in bulk HJ systems due to the presence of charge transfer at the interfacial bonding. Atomically thin 2D transition metal dichalcogenide materials have attracted much attention recently since the ultrathin HJs and devices can be easily built and they are promising for future electronics. The vertical HJs based on 2D materials can be constructed via van der Waals stacking regardless of the lattice mismatch between two materials. Despite the defect-free characteristics of the junction interface, experimental evidence is still lacking on whether the simple Anderson rule can predict the band alignment of HJs. Here, the validity of Anderson\\'s model is verified for the 2D heterojunction systems and the success of Anderson\\'s model is attributed to the absence of dangling bonds (i.e., interface dipoles) at the van der Waal interface. The results from the work set a foundation allowing the use of powerful Anderson\\'s rule to determine the band alignments of 2D HJs, which is beneficial to future electronic, photonic, and optoelectronic devices. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Determination of a natural valence-band offset - The case of HgTe and CdTe

    Science.gov (United States)

    Shih, C. K.; Spicer, W. E.

    1987-01-01

    A method to determine a natural valence-band offset (NVBO), i.e., the change in the valence-band maximum energy which is intrinsic to the bulk band structures of semiconductors is proposed. The HgTe-CdTe system is used as an example in which it is found that the valence-band maximum of HgTe lies 0.35 + or - 0.06 eV above that of CdTe. The NVBO of 0.35 eV is in good agreement with the X-ray photoemission spectroscopy measurement of the heterojunction offset. The procedure to determine the NVBO between semiconductors, and its implication on the heterojunction band lineup and the electronic structures of semiconductor alloys, are discussed.

  14. Valence band structures of InAs/GaAs quantum rings using the Fourier transform method

    International Nuclear Information System (INIS)

    Jia Boyong; Yu Zhongyuan; Liu Yumin

    2009-01-01

    The valence band structures of strained InAs/GaAs quantum rings are calculated, with the four-band k · p model, in the framework of effective-mass envelope function theory. When determining the Hamiltonian matrix elements, we develop the Fourier transform method instead of the widely used analytical integral method. Using Fourier transform, we have investigated the energy levels as functions of the geometrical parameters of the rings and compared our results with those obtained by the analytical integral method. The results show that the energy levels in the quantum rings change dramatically with the inner radius, outer radius, average radius, width, height of the ring and the distance between two adjacent rings. Our method can be adopted in low-dimensional structures with arbitrary shape. Our results are consistent with those in the literature and should be helpful for studying and fabricating optoelectronic devices

  15. Experimental determination of conduction and valence bands of semiconductor nanoparticles using Kelvin probe force microscopy

    International Nuclear Information System (INIS)

    Zhang Wen; Chen Yongsheng

    2013-01-01

    The ability to determine a semiconductor’s band edge positions is important for the design of new photocatalyst materials. In this paper, we introduced an experimental method based on Kelvin probe force microscopy to determine the conduction and valence band edge energies of semiconductor nanomaterials, which has rarely been demonstrated. We tested the method on six semiconductor nanoparticles (α-Fe 2 O 3 , CeO 2 , Al 2 O 3 , CuO, TiO 2 , and ZnO) with known electronic structures. The experimentally determined band edge positions for α-Fe 2 O 3 , Al 2 O 3 , and CuO well matched the literature values with no statistical difference. Except CeO 2 , all other metal oxides had a consistent upward bias in the experimental measurements of band edge positions because of the shielding effect of the adsorbed surface water layer. This experimental approach may outstand as a unique alternative way of probing the band edge energy positions of semiconductor materials to complement the current computational methods, which often find limitations in new synthetic or complex materials. Ultimately, this work provides scientific foundation for developing experimental tools to probe nanoscale electronic properties of photocatalytic materials, which will drive breakthroughs in the design of novel photocatalytic systems and advance the fundamental understanding of material properties.

  16. Band alignment of ZnO/multilayer MoS{sub 2} interface determined by x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xinke, E-mail: xkliu@szu.edu.cn, E-mail: liuwj@szu.edu.cn; He, Jiazhu; Chen, Le; Li, Kuilong; Jia, Fang; Zeng, Yuxiang; Lu, Youming; Zhu, Deliang; Liu, Wenjun, E-mail: xkliu@szu.edu.cn, E-mail: liuwj@szu.edu.cn [College of Materials Science and Engineering, Nanshan District Key Lab for Biopolymer and Safety Evaluation, Shenzhen University, 3688 Nanhai Ave, Shenzhen 518060 (China); Zhang, Yuan [School of Physics and Electronic Information, Hua Bei Normal University, 100 Dongshan Road, Huai Bei 235000 (China); Liu, Qiang; Yu, Wenjie [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, CAS, 865 Chang Ning Road, Shanghai 200050 (China); Wu, Jing [Institute of Materials research and Engineering (IMRE), 2 Fusionopolis Way, Innovis, #08-03, 138634 Singapore (Singapore); He, Zhubing [Department of Materials Science and Engineering, South University of Science and Technology of China, 1088 Xueyuan Road, Shenzhen 518055 (China); Ang, Kah-Wee [Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, 117583 Singapore (Singapore)

    2016-08-15

    The energy band alignment between ZnO and multilayer (ML)-MoS{sub 2} was characterized using high-resolution x-ray photoelectron spectroscopy. The ZnO film was deposited using an atomic layer deposition tool, and ML-MoS{sub 2} was grown by chemical vapor deposition. A valence band offset (VBO) of 3.32 eV and a conduction band offset (CBO) of 1.12 eV were obtained for the ZnO/ML-MoS{sub 2} interface without any treatment. With CHF{sub 3} plasma treatment, a VBO and a CBO across the ZnO/ML-MoS{sub 2} interface were found to be 3.54 eV and 1.34 eV, respectively. With the CHF{sub 3} plasma treatment, the band alignment of the ZnO/ML-MoS{sub 2} interface has been changed from type II or staggered band alignment to type III or misaligned one, which favors the electron-hole pair separation. The band alignment difference is believed to be dominated by the down-shift in the core level of Zn 2p or the interface dipoles, which is caused by the interfacial layer rich in F.

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

    Science.gov (United States)

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

    2010-09-01

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

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

    Science.gov (United States)

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

    2015-07-30

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

  19. Spin-dependent electron-phonon coupling in the valence band of single-layer WS2

    DEFF Research Database (Denmark)

    Hinsche, Nicki Frank; Ngankeu, Arlette S.; Guilloy, Kevin

    2017-01-01

    The absence of inversion symmetry leads to a strong spin-orbit splitting of the upper valence band of semiconducting single-layer transition-metal dichalchogenides such as MoS2 or WS2. This permits a direct comparison of the electron-phonon coupling strength in states that only differ by their spin....... Here, the electron-phonon coupling in the valence band maximum of single-layer WS2 is studied by first-principles calculations and angle-resolved photoemission. The coupling strength is found to be drastically different for the two spin-split branches, with calculated values of λK=0.0021 and 0.......40 for the upper and lower spin-split valence band of the freestanding layer, respectively. This difference is somewhat reduced when including scattering processes involving the Au(111) substrate present in the experiment but it remains significant, in good agreement with the experimental results....

  20. Auger electron emission initiated by the creation of valence-band holes in graphene by positron annihilation.

    Science.gov (United States)

    Chirayath, V A; Callewaert, V; Fairchild, A J; Chrysler, M D; Gladen, R W; Mcdonald, A D; Imam, S K; Shastry, K; Koymen, A R; Saniz, R; Barbiellini, B; Rajeshwar, K; Partoens, B; Weiss, A H

    2017-07-13

    Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary electron spectrum from many solids. However, measurements of the energy spectrum and the efficiency with which electrons are emitted in this process remain elusive due to a large unrelated background resulting from primary beam-induced secondary electrons. Here, we report the direct measurement of the energy spectra of electrons emitted from single layer graphene as a result of the decay of deep holes in the valence band. These measurements were made possible by eliminating competing backgrounds by employing low-energy positrons (holes by annihilation. Our experimental results, supported by theoretical calculations, indicate that between 80 and 100% of the deep valence-band holes in graphene are filled via an Auger transition.

  1. Resonant photoemission at core-level shake-up thresholds: Valence-band satellites in nickel

    International Nuclear Information System (INIS)

    Bjoerneholm, O.; Andersen, J.N.; Wigren, C.; Nilsson, A.; Nyholm, R.; Ma; Ortensson, N.

    1990-01-01

    Three-hole satellites (3d 7 final-state configuration) in the nickel valence-band photoelectron spectrum have been identified at 13 and 18 eV binding energy with use of synchrotron radiation from the MAX storage ring. The three-hole satellites show resonances at photon energies close to the threshold for excitation of 3p 5 3d 9 core-hole shake-up states. The 13-eV satellite also shows a resonance directly at the 3p threshold. This is interpreted as an interference between the direct three-hole ionization and a shake-up transition in the Auger decay of the 3p hole. This shake-up process is also identified directly in the M 2,3 M 4,5 M 4,5 Auger spectrum

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

    International Nuclear Information System (INIS)

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

    2010-01-01

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

  3. Band alignment measurements at heterojunction interfaces in layered thin film solar cells & thermoelectrics

    Science.gov (United States)

    Fang, Fang

    2011-12-01

    Public awareness of the increasing energy crisis and the related serious environmental concerns has led to a significantly growing demand for alternative clean and renewable energy resources. Thin film are widely applied in multiple renewable energy devices owing to the reduced amount of raw materials and increase flexibility of choosing from low-cost candidates, which translates directly into reduced capital cost. This is a key driving force to make renewable technology competitive in the energy market. This thesis is focused on the measurement of energy level alignments at interfaces of thin film structures for renewable energy applications. There are two primary foci: II -VI semiconductor ZnSe/ZnTe thin film solar cells and Bi2Te3/Sb2Te3 thin film structures for thermoelectric applications. In both cases, the electronic structure and energy band alignment at interfaces usually controls the carrier transport behavior and determines the quality of the device. High-resolution photoemission spectroscopy (lab-based XPS & synchrotron-based UPS) was used to investigate the chemical and electronic properties of epitaxial Bi2Te3 and Sb2Te3 thin films, in order to validate the anticipated band alignment at interfaces in Bi 2Te3/Sb2Te3 superlattices as one favoring electron-transmission. A simple, thorough two-step treatment of a chemical etching in dilute hydrochloric acid solution and a subsequent annealing at ˜150°C under ultra-high vacuum environment is established to remove the surface oxides completely. It is an essential step to ensure the measurements on electronic states are acquired on stoichimetric, oxide-free clean surface of Bi 2Te3 and Sb2Te3 films. The direct measurement of valence band offsets (VBO) at a real Sb 2Te3/Bi2Te3 interface is designed based on the Kraut model; a special stacking film structure is prepared intentionally: sufficiently thin Sb2Te3 film on top of Bi2Te 3 that photoelectrons from both of them are collected simultaneously. From a

  4. Evaluation of band alignment of α-Ga2O3/α-(Al x Ga1‑ x )2O3 heterostructures by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Uchida, Takayuki; Jinno, Riena; Takemoto, Shu; Kaneko, Kentaro; Fujita, Shizuo

    2018-04-01

    The band alignment at an α-Ga2O3/α-(Al x Ga1‑ x )2O3 heterointerface, with different Al compositions (x), grown on a c-plane sapphire substrate was evaluated by X-ray photoelectron spectroscopy. The experimental results show that the heterointerface has the type-I band discontinuity with the valence band offsets of 0.090, 0.12, and 0.14 eV, and the conduction band offsets of 0.34, 0.79, and 1.87 eV, for x values of 0.1, 0.4, and 0.8, respectively. The small band offset for the valence band is attributed to the fact that the valence band of oxides is constituted by the localized O 2p level, which is dominated by the nature of oxygen atoms. The type-I band discontinuity is desirable for a variety of heterostructure devices.

  5. Simultaneous Conduction and Valence Band Quantization in Ultrashallow High-Density Doping Profiles in Semiconductors

    Science.gov (United States)

    Mazzola, F.; Wells, J. W.; Pakpour-Tabrizi, A. C.; Jackman, R. B.; Thiagarajan, B.; Hofmann, Ph.; Miwa, J. A.

    2018-01-01

    We demonstrate simultaneous quantization of conduction band (CB) and valence band (VB) states in silicon using ultrashallow, high-density, phosphorus doping profiles (so-called Si:P δ layers). We show that, in addition to the well-known quantization of CB states within the dopant plane, the confinement of VB-derived states between the subsurface P dopant layer and the Si surface gives rise to a simultaneous quantization of VB states in this narrow region. We also show that the VB quantization can be explained using a simple particle-in-a-box model, and that the number and energy separation of the quantized VB states depend on the depth of the P dopant layer beneath the Si surface. Since the quantized CB states do not show a strong dependence on the dopant depth (but rather on the dopant density), it is straightforward to exhibit control over the properties of the quantized CB and VB states independently of each other by choosing the dopant density and depth accordingly, thus offering new possibilities for engineering quantum matter.

  6. Decay of Wannier-Mott excitons interacting with acoustic phonon in semiconductors with a degenerate valence band

    International Nuclear Information System (INIS)

    Nguyen Toan Thang; Nguyen Ai Viet; Nguyen Hong Quang

    1987-06-01

    Decay probabilities of light and heavy excitons interacting with acoustic phonons in cubic semiconductors with a degenerate valence band are calculated. The numerical results for GaAs showed that the decay probability of the light exciton is much greater than that of the heavy one. (author). 10 refs, 1 fig

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

    Science.gov (United States)

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

    2008-02-01

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

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

    Science.gov (United States)

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

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

  9. Valence one-electron and shake-up ionization bands of fluorene, carbazole and dibenzofuran

    International Nuclear Information System (INIS)

    Reza Shojaei, S.H.; Morini, Filippo; Deleuze, Michael S.

    2013-01-01

    Highlights: • The photoelectron spectra of the title compounds are assigned in details. • Shake-up lines are found to severely contaminate both π- and σ-ionization bands. • σ-ionization onsets are subject to severe vibronic coupling complications. • We compare the results of OVGF, ADC(3) and TDDFT calculations. - Abstract: A comprehensive study of the He (I) ultra-violet photoelectron spectra of fluorene, carbazole and dibenzofuran is presented with the aid of one-particle Green’s Function calculations employing the outer-valence Green’s Function (OVGF) approach and the third-order algebraic diagrammatic construction [ADC(3)] scheme, along with Dunning’s correlation consistent basis sets of double and triple zeta quality (cc-pVDZ, cc-pVTZ). Extrapolations of the ADC(3) results for the outermost one-electron π-ionization energies to the cc-pVTZ basis set enable theoretical insights into He (I) measurements within ∼0.15 eV accuracy, up to the σ-ionization onset. The lower ionization energy of carbazole is the combined result of mesomeric and electronic relaxation effects. OVGF/cc-pVDZ or OVGF/cc-pVTZ pole strengths smaller than 0.85 systematically corroborate a breakdown of the orbital picture of ionization at the ADC(3) level. Comparison is made with calculations of the lowest doublet–doublet excitation energies of the radical cation of fluorene, by means of time-dependent density functional theory (TDDFT)

  10. Internal-strain effect on the valence band of strained silicon and its correlation with the bond angles

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-02-14

    By means of the first-principles density-functional theory, we investigate the effect of relative atom displacement in the crystal unit cell, namely, internal strain on the valence-band dispersion of strained silicon, and find close correlation of this effect with variation in the specific bond angles due to internal strain. We consider the [111] ([110]) band dispersion for (111) ((110)) biaxial tensility and [111] ([110]) uniaxial compression, because remarkably small values of hole effective mass m* can be obtained in this dispersion. Under the practical condition of no normal stress, biaxial tensility (uniaxial compression) involves additional normal compression (tensility) and internal strain. With an increase in the internal-strain parameter, the energy separation between the highest and second-highest valence bands becomes strikingly larger, and the highest band with conspicuously small m* extends remarkably down to a lower energy region, until it intersects or becomes admixed with the second band. This is closely correlated with the change in the specific bond angles, and this change can reasonably explain the above enlargement of the band separation.

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

    Science.gov (United States)

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

    2015-09-01

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

  12. Characterization of MBE-grown InAlN/GaN heterostructure valence band offsets with varying In composition

    Energy Technology Data Exchange (ETDEWEB)

    Jiao, Wenyuan, E-mail: wyjiaonju@gmail.com; Kong, Wei; Li, Jincheng; Kim, Tong-Ho; Brown, April S. [Department of Electrical and Computer Engineering, Duke University, Durham, NC, 27708 (United States); Collar, Kristen [Department of Physics, Duke University, Durham, NC, 27708 (United States); Losurdo, Maria [CNR-NANOTEC, Istituto di Nanotecnologia, via Orabona, 4-70126 Bari (Italy)

    2016-03-15

    Angle-resolved X-ray photoelectron spectroscopy (XPS) is used in this work to experimentally determine the valence band offsets of molecular beam epitaxy (MBE)-grown InAlN/GaN heterostructures with varying indium composition. We find that the internal electric field resulting from polarization must be taken into account when analyzing the XPS data. Valence band offsets of 0.12 eV for In{sub 0.18}Al{sub 0.82}N, 0.15 eV for In{sub 0.17}Al{sub 0.83}N, and 0.23 eV for In{sub 0.098}Al{sub 0.902}N with GaN are obtained. The results show that a compositional-depended bowing parameter is needed in order to estimate the valence band energies of InAlN as a function of composition in relation to those of the binary endpoints, AlN and InN.

  13. Characterization of MBE-grown InAlN/GaN heterostructure valence band offsets with varying In composition

    Directory of Open Access Journals (Sweden)

    Wenyuan Jiao

    2016-03-01

    Full Text Available Angle-resolved X-ray photoelectron spectroscopy (XPS is used in this work to experimentally determine the valence band offsets of molecular beam epitaxy (MBE-grown InAlN/GaN heterostructures with varying indium composition. We find that the internal electric field resulting from polarization must be taken into account when analyzing the XPS data. Valence band offsets of 0.12 eV for In0.18Al0.82N, 0.15 eV for In0.17Al0.83N, and 0.23 eV for In0.098Al0.902N with GaN are obtained. The results show that a compositional-depended bowing parameter is needed in order to estimate the valence band energies of InAlN as a function of composition in relation to those of the binary endpoints, AlN and InN.

  14. Band alignment of B0.14Al0.86N/Al0.7Ga0.3N heterojunction

    KAUST Repository

    Sun, Haiding; Park, Young Jae; Li, Kuang-Hui; Torres Castanedo, C. G.; Alowayed, Abdulmohsen; Detchprohm, Theeradetch; Dupuis, Russell D.; Li, Xiaohang

    2017-01-01

    Owing to large bandgaps of BAlN and AlGaN alloys, their heterojunctions have the potential to be used in deep ultraviolet and power electronic device applications. However, the band alignment of such junctions has not been identified. In this work, we investigated the band-offset parameters of a BAlN/AlGaN heterojunction grown by metalorganic vapor phase epitaxy. These specific compositions were chosen to ensure a sufficiently large band offset for deep ultraviolet and power electronic applications. High resolution transmission electron microscopy confirmed the high structural quality of the heterojunction with an abrupt interface and uniform element distribution. We employed high resolution X-ray photoemission spectroscopy to measure the core level binding energies of B 1s and Ga 2p with respect to the valence band maximum of BAlN and AlGaN layers, respectively. Then, we measured the energy separation between the B 1s and Ga 2p core levels at the interface of the heterojunction. The valence band offset was determined to be 0.40 ± 0.05 eV. As a consequence, we identified a staggered-gap (type-II) heterojunction with the conduction band offset of 1.10 ± 0.05 eV. The determination of the band alignment of the BAlN/AlGaN heterojunction facilitates the design of optical and electronic devices based on such junctions.

  15. Band alignment of B0.14Al0.86N/Al0.7Ga0.3N heterojunction

    KAUST Repository

    Sun, Haiding

    2017-09-21

    Owing to large bandgaps of BAlN and AlGaN alloys, their heterojunctions have the potential to be used in deep ultraviolet and power electronic device applications. However, the band alignment of such junctions has not been identified. In this work, we investigated the band-offset parameters of a BAlN/AlGaN heterojunction grown by metalorganic vapor phase epitaxy. These specific compositions were chosen to ensure a sufficiently large band offset for deep ultraviolet and power electronic applications. High resolution transmission electron microscopy confirmed the high structural quality of the heterojunction with an abrupt interface and uniform element distribution. We employed high resolution X-ray photoemission spectroscopy to measure the core level binding energies of B 1s and Ga 2p with respect to the valence band maximum of BAlN and AlGaN layers, respectively. Then, we measured the energy separation between the B 1s and Ga 2p core levels at the interface of the heterojunction. The valence band offset was determined to be 0.40 ± 0.05 eV. As a consequence, we identified a staggered-gap (type-II) heterojunction with the conduction band offset of 1.10 ± 0.05 eV. The determination of the band alignment of the BAlN/AlGaN heterojunction facilitates the design of optical and electronic devices based on such junctions.

  16. Band alignment study of lattice-matched In{sub 0.49}Ga{sub 0.51}P and Ge using x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Owen, Man Hon Samuel, E-mail: m.owen.sg@ieee.org, E-mail: yeo@ieee.org; Zhou, Qian; Gong, Xiao; Yeo, Yee-Chia, E-mail: m.owen.sg@ieee.org, E-mail: yeo@ieee.org [Department of Electrical and Computer Engineering, National University of Singapore, Singapore 119260 (Singapore); Zhang, Zheng; Pan, Ji Sheng [Institute of Materials Research and Engineering, A*STAR (Agency for Science, Technology and Research), 3 Research Link, Singapore 117602 (Singapore); Loke, Wan Khai; Wicaksono, Satrio; Yoon, Soon Fatt [School of Electrical and Electronic Engineering, Nanyang Technological University (NTU), Nanyang Avenue, Singapore 639798 (Singapore); Tok, Eng Soon [Department of Physics, National University of Singapore, Singapore 117551 (Singapore)

    2014-09-08

    Lattice-matched In{sub 0.49}Ga{sub 0.51}P was grown on a p-type Ge(100) substrate with a 10° off-cut towards the (111) by low temperature molecular beam epitaxy, and the band-alignment of In{sub 0.49}Ga{sub 0.51}P on Ge substrate was obtained by high resolution x-ray photoelectron spectroscopy. The valence band offset for the InGaP/Ge(100) interface was found to be 0.64 ± 0.12 eV, with a corresponding conduction band offset of 0.60 ± 0.12 eV. The InGaP/Ge interface is found to be of the type I band alignment.

  17. 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.

  18. Valence Band Structure of InAs1−xBix and InSb1−xBix Alloy Semiconductors Calculated Using Valence Band Anticrossing Model

    Science.gov (United States)

    Samajdar, D. P.; Dhar, S.

    2014-01-01

    The valence band anticrossing model has been used to calculate the heavy/light hole and spin-orbit split-off energies in InAs1−xBix and InSb1−xBix alloy systems. It is found that both the heavy/light hole, and spin-orbit split E + levels move upwards in energy with an increase in Bi content in the alloy, whereas the split E − energy for the holes shows a reverse trend. The model is also used to calculate the reduction of band gap energy with an increase in Bi mole fraction. The calculated values of band gap variation agree well with the available experimental data. PMID:24592181

  19. Valence band structure of InAs(1-x)Bi(x) and InSb(1-x)Bi(x) alloy semiconductors calculated using valence band anticrossing model.

    Science.gov (United States)

    Samajdar, D P; Dhar, S

    2014-01-01

    The valence band anticrossing model has been used to calculate the heavy/light hole and spin-orbit split-off energies in InAs(1-x)Bi(x) and InSb(1-x)Bi(x) alloy systems. It is found that both the heavy/light hole, and spin-orbit split E + levels move upwards in energy with an increase in Bi content in the alloy, whereas the split E - energy for the holes shows a reverse trend. The model is also used to calculate the reduction of band gap energy with an increase in Bi mole fraction. The calculated values of band gap variation agree well with the available experimental data.

  20. Valence band structure of PDMS surface and a blend with MWCNTs: A UPS and MIES study of an insulating polymer

    Energy Technology Data Exchange (ETDEWEB)

    Schmerl, Natalya M.; Khodakov, Dmitriy A.; Stapleton, Andrew J.; Ellis, Amanda V.; Andersson, Gunther G., E-mail: gunther.andersson@flinders.edu.au

    2015-10-30

    Graphical abstract: - Highlights: • Valence electron spectroscopy was performed on an insulating polymer using different charge compensation methods. • MWCNT were embedded in PDMS and found to be the most effective method for reducing the charging of the insulating polymer. • The valence band spectrum of PDMS was obtained via MIES and UPS. • Ion scattering spectroscopy was used to determine the concentration depth profile of the PDMS in the sample. - Abstract: The use of polydimethylsiloxane (PDMS) is increasing with new technologies working toward compact, flexible and transparent devices for use in medical and microfluidic systems. Electronic characterization of PDMS and other insulating materials is difficult due to charging, yet necessary for many applications where the interfacial structure is vital to device function or further modification. The outermost layer in particular is of importance as this is the area where chemical reactions such as surface functionalization will occur. Here, we investigate the valence band structure of the outermost layer and near surface area of PDMS through the use of metastable induced photoelectron spectroscopy (MIES) paired with ultraviolet photoelectron spectroscopy (UPS). The chemical composition of the samples under investigation were measured via X-ray photoelectron spectroscopy (XPS), and the vertical distribution of the polymer was shown with neutral impact collision ion scattering spectroscopy (NICISS). Three separate methods for charge compensation are used for the samples, and their effectiveness is compared.

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

    Science.gov (United States)

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

    2018-05-01

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

  2. Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation

    KAUST Repository

    Silver, Scott

    2018-02-13

    This study presents a combined experimental and theoretical study of the electronic structure of two 2D metal halide perovskite films. Ultraviolet and inverse photoemission spectroscopies are performed on solution-processed thin films of the n = 1 layered perovskite butylammonium lead iodide and bromide, BA2PbI4 and BA2PbBr4, characterized by optical absorption and X-ray diffraction, to determine their valence and conduction band densities of states, transport gaps, and exciton binding energies. The electron spectroscopy results are compared with the densities of states determined by density functional theory calculations. The remarkable agreement between experiment and calculation enables a detailed identification and analysis of the organic and inorganic contributions to the valence and conduction bands of these two hybrid perovskites. The electron affinity and ionization energies are found to be 3.1 and 5.8 eV for BA2PbI4, and 3.1 and 6.5 eV for BA2PbBr4. The exciton binding energies are estimated to be 260 and 300 meV for the two materials, respectively. The 2D lead iodide and bromide perovskites exhibit significantly less band dispersion and a larger density of states at the band edges than the 3D analogs. The effects of using various organic ligands are also discussed.

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

    Science.gov (United States)

    Mandal, Ipsita; Nandkishore, Rahul M.

    2018-03-01

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

  4. Photoluminescence and Band Alignment of Strained GaAsSb/GaAs QW Structures Grown by MBE on GaAs

    Directory of Open Access Journals (Sweden)

    Nigamananda Samal

    2010-02-01

    Full Text Available An in-depth optimization of growth conditions and investigation of optical properties including discussions on band alignment of GaAsSb/GaAs quantum well (QW on GaAs by molecular beam epitaxy (MBE are reported. Optimal MBE growth temperature of GaAsSb QW is found to be 470 ± 10 °C. GaAsSb/GaAs QW with Sb content ~0.36 has a weak type-II band alignment with valence band offset ratio QV ~1.06. A full width at half maximum (FWHM of ~60 meV in room temperature (RT photoluminescence (PL indicates fluctuation in electrostatic potential to be less than 20 meV. Samples grown under optimal conditions do not exhibit any blue shift of peak in RT PL spectra under varying excitation.

  5. Band alignment at the Cu{sub 2}ZnSn(S{sub x}Se{sub 1-x}){sub 4}/CdS interface

    Energy Technology Data Exchange (ETDEWEB)

    Haight, Richard; Barkhouse, Aaron; Gunawan, Oki; Shin, Byungha; Copel, Matt; Hopstaken, Marinus; Mitzi, David B [IBM TJ Watson Research Center, P.O. Box 218, Yorktown Hts., New York 10598 (United States)

    2011-06-20

    Energy band alignments between CdS and Cu{sub 2}ZnSn(S{sub x}Se{sub 1-x}){sub 4} (CZTSSe) grown via solution-based and vacuum-based deposition routes were studied as a function of the [S]/[S+Se] ratio with femtosecond laser ultraviolet photoelectron spectroscopy, photoluminescence, medium energy ion scattering, and secondary ion mass spectrometry. Band bending in the underlying CZTSSe layer was measured via pump/probe photovoltage shifts of the photoelectron spectra and offsets were determined with photoemission under flat band conditions. Increasing the S content of the CZTSSe films produces a valence edge shift to higher binding energy and increases the CZTSSe band gap. In all cases, the CdS conduction band offsets were spikes.

  6. Ab-initio calculation of the valence-band offset at strained GaAs/InAs (001) heterojunction

    International Nuclear Information System (INIS)

    Tit, N.; Peressi, M.

    1993-06-01

    We present a self consistent pseudopotential calculation of the valence band offset (VBO) at GaAs/InAs (001) strained heterojunction, which is chose as an example of the isovalent polar with common-anion lattice mismatched heterojunctions. The effects of strain are studied by looking at the variation of the VBO versus the in plane lattice constant, which is imposed by the substrate. Our results show that the VBO can be tuned by about 0.17 eV going from GaAs to InAs substrates. Comparison of our work with the available experimental and theoretical results is also discussed. (author). 25 refs, 3 figs, 5 tabs

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

    International Nuclear Information System (INIS)

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

    1991-06-01

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

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

    International Nuclear Information System (INIS)

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

    1991-01-01

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

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

    Science.gov (United States)

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

    2017-11-01

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

  10. Modified band alignment effect in ZnO/Cu2O heterojunction solar cells via Cs2O buffer insertion

    Science.gov (United States)

    Eom, Kiryung; Lee, Dongyoon; Kim, Seunghwan; Seo, Hyungtak

    2018-02-01

    The effects of a complex buffer layer of cesium oxide (Cs2O) on the photocurrent response in oxide heterojunction solar cells (HSCs) were investigated. A p-n junction oxide HSC was fabricated using p-type copper (I) oxide (Cu2O) and n-type zinc oxide (ZnO); the buffer layer was inserted between the Cu2O and fluorine-doped tin oxide (FTO). Ultraviolet-visible (UV-vis) and x-ray and ultraviolet photoelectron spectroscopy analyses were performed to characterize the electronic band structures of cells, both with and without this buffer layer. In conjunction with the measured band electronic structures, the significantly improved visible-range photocurrent spectra of the buffer-inserted HSC were analyzed in-depth. As a result, the 1 sun power conversion efficiency was increased by about three times by the insertion of buffer layer. The physicochemical origin of the photocurrent enhancement was mainly ascribed to the increased photocarrier density in the buffer layer and modified valence band offset to promote the effective hole transfer at the interface to FTO on the band-alignment model.

  11. Pressure variation of the valence band width in Ge: A self-consistent GW study

    DEFF Research Database (Denmark)

    Modak, Paritosh; Svane, Axel; Christensen, Niels Egede

    2009-01-01

    . In the present work we report results of quasiparticle self-consistent GW  (QSGW) band calculations for diamond- as well as β-tin-type Ge under pressure. For both phases we find that the band width increases with pressure. For β-tin Ge this agrees with experiment and density-functional theory, but for diamond Ge...

  12. Spin alignment and collective moment of inertia of the basic rotational band in the cranking model

    International Nuclear Information System (INIS)

    Tanaka, Yoshihide

    1982-01-01

    By making an attempt to separate the intrinsic particle and collective rotational motions in the cranking model, the spin alignment and the collective moment of inertia characterizing the basic rotational bands are defined, and are investigated by using a simple i sub(13/2) shell model. The result of the calculation indicates that the collective moment of inertia decreases under the presence of the quasiparticles which are responsible for the increase of the spin alignment of the band. (author)

  13. Band Alignment and Optical Properties of (ZrO20.66(HfO20.34 Gate Dielectrics Thin Films on p-Si (100

    Directory of Open Access Journals (Sweden)

    Dahlang Tahir

    2011-11-01

    Full Text Available (ZrO20.66(HfO20.34 dielectric films on p-Si (100 were grown by atomic layer deposition method, for which the conduction band offsets, valence band offsets and band gaps were obtained by using X-ray photoelectron spectroscopy and reflection electron energy loss spectroscopy. The band gap, valence and conduction band offset values for (ZrO20.66(HfO20.34 dielectric thin film, grown on Si substrate were about 5.34, 2.35 and 1.87 eV respectively. This band alignment was similar to that of ZrO2. In addition, The dielectric function ε (k, ω, index of refraction n and the extinction coefficient k for the (ZrO20.66(HfO20.34 thin films were obtained from a quantitative analysis of REELS data by comparison to detailed dielectric response model calculations using the QUEELS-ε (k,ω-REELS software package. These optical properties are similar with ZrO2 dielectric thin films.

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

    Directory of Open Access Journals (Sweden)

    K. Collar

    2017-07-01

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

  15. Determination of the valence-band offset of CdS/CIS solar cell devices by target factor analysis

    Energy Technology Data Exchange (ETDEWEB)

    Niles, D.W.; Contreras, M.; Ramanathan, K.; Noufi, R. [National Renewable Energy Lab., Golden, CO (United States)

    1996-05-01

    X-ray photoemission spectroscopy (XPS) is used to determine and compare the valence-band offsets ({Delta}E{sub v}) for CdS grown by chemical bath deposition on single-crystal and thin-film CuInSe{sub 2} (CIS). The thin-film CIS device was suitable for photovoltaic energy production. By sputtering through the CdS/CIS interface and reducing the depth profile with target factor analysis, the magnitude of {Delta}E{sub v} was determined to be {Delta}E{sub v} = 1.06 {+-} 0.15 eV for both the single-crystal and thin-film interfaces. This determination of {Delta}E{sub v} is about 0.25 eV larger than many previously reported estimations CdS grown by physical vapor deposition on CIS and helps explain the record performance of CdS/CIS photovoltaic devices.

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

    International Nuclear Information System (INIS)

    Brandow, B.H.

    1985-01-01

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

  17. Band alignment of atomic layer deposited SiO2 and HfSiO4 with (\\bar{2}01) β-Ga2O3

    Science.gov (United States)

    Carey, Patrick H., IV; Ren, Fan; Hays, David C.; Gila, Brent P.; Pearton, Stephen J.; Jang, Soohwan; Kuramata, Akito

    2017-07-01

    The valence band offset at both SiO2/β-Ga2O3 and HfSiO4/β-Ga2O3 heterointerfaces was measured using X-ray photoelectron spectroscopy. Both dielectrics were deposited by atomic layer deposition (ALD) onto single-crystal β-Ga2O3. The bandgaps of the materials were determined by reflection electron energy loss spectroscopy as 4.6 eV for Ga2O3, 8.7 eV for Al2O3 and 7.0 eV for HfSiO4. The valence band offset was determined to be 1.23 ± 0.20 eV (straddling gap, type I alignment) for ALD SiO2 on β-Ga2O3 and 0.02 ± 0.003 eV (also type I alignment) for HfSiO4. The respective conduction band offsets were 2.87 ± 0.70 eV for ALD SiO2 and 2.38 ± 0.50 eV for HfSiO4, respectively.

  18. Valence band offset of β-Ga2O3/wurtzite GaN heterostructure measured by X-ray photoelectron spectroscopy.

    Science.gov (United States)

    Wei, Wei; Qin, Zhixin; Fan, Shunfei; Li, Zhiwei; Shi, Kai; Zhu, Qinsheng; Zhang, Guoyi

    2012-10-10

    A sample of the β-Ga2O3/wurtzite GaN heterostructure has been grown by dry thermal oxidation of GaN on a sapphire substrate. X-ray diffraction measurements show that the β-Ga2O3 layer was formed epitaxially on GaN. The valence band offset of the β-Ga2O3/wurtzite GaN heterostructure is measured by X-ray photoelectron spectroscopy. It is demonstrated that the valence band of the β-Ga2O3/GaN structure is 1.40 ± 0.08 eV.

  19. 16O + 16O + valence neutrons in molecular orbitals structures of positive- and negative-parity superdeformed bands in 34S

    International Nuclear Information System (INIS)

    Taniguchi, Yasutaka

    2015-01-01

    The structures of superdeformed (SD) states in 34 S have been investigated using the antisymmetrized molecular dynamics and generator coordinate method (GCM). The GCM basis wave functions are calculated via energy variation with a constraint on the quadrupole deformation parameter β. By applying the GCM after parity and angular momentum projections, the coexistence of two positive- and one negative-parity SD bands are predicted, and low-lying states and other deformed bands are obtained. The SD bands have structures of 16 O + 16 O + two valence neutrons in molecular orbitals around the two 16 O cores in a cluster picture. The configurations of the two valence neutrons are δ 2 and π 2 for the positive-parity SD bands and π 1 δ 1 for the negative-parity SD band. (author)

  20. 16O + 16O + valence neutrons in molecular orbitals structures of positive- and negative-parity superdeformed bands in 34S

    International Nuclear Information System (INIS)

    Taniguchi, Yasutaka

    2014-01-01

    The structures of superdeformed (SD) states in 34 S are investigated using the antisymmetrized molecular dynamics and generator coordinate method (GCM). The GCM basis wave functions are calculated via energy variation with a constraint on the quadrupole deformation parameter β. By applying the GCM after parity and angular momentum projections, the coexistence of two positive- and one negative-parity SD bands are predicted, and low-lying states and other deformed bands are obtained. The SD bands have structures of 16 O + 16 O + two valence neutrons in molecular orbitals around the two 16 O cores in a cluster picture. The configurations of the two valence neutrons are δ 2 and π 2 for the positive-parity SD bands and π 1 δ 1 for the negative-parity SD band

  1. Effects of crystallite structure and interface band alignment on the photocatalytic property of bismuth ferrite/ (N-doped) graphene composites

    International Nuclear Information System (INIS)

    Li, Pai; Chen, Qiang; Lin, Yinyin; Chang, Gang; He, Yunbin

    2016-01-01

    Bismuth ferrite/graphene (N-doped graphene) photocatalysts are successfully prepared by a facile and effective two-step hydrothermal method. Bismuth ferrite/graphene shows superior photocatalytic activity compared with bismuth ferrite/N-doped graphene and pure BiFeO 3 . X-ray diffraction, scanning electron microscopy and energy-dispersive spectroscopy analyses indicate that Bi 25 FeO 40 crystalline phase is obtained with the addition of graphene, while BiFeO 3 is formed under the same hydrothermal conditions in the presence of N-doped graphene. Core-level and valence-band X-ray photoelectron spectroscopy analyses reveal a downward band bending of bismuth ferrite (∼0.5 eV) at the interface of the bismuth ferrite/(N-doped) graphene composites, which facilitates the electron transfer from bismuth ferrite to (N-doped) graphene and suppresses the recombination of photo-generated electron–hole pairs. This downward bending band alignment at the interface supposes to be the main mechanism underlying the enhanced photocatalytic activity of the bismuth ferrite/graphene composites that are currently of great interest in the photocatalysis field. - Highlights: • Bismuth ferrite/(N-doped) graphene composites were prepared by a hydrothermal method. • Bi 25 FeO 40 and BiFeO 3 were obtained with presence of graphene and N-graphene, respectively. • Bi 25 FeO 40 /graphene shows superior photocatalytic activity over BiFeO 3 and BiFeO 3 /N-graphene. • A downward band bending (∼0.5 eV) of bismuth ferrite exists at the composites interface. • The downward band bending supposes to be the mechanism for the enhanced photocatalytic activity.

  2. Valence band photoemission from in-situ grown GaAs(100)-c(4 x 4)

    Czech Academy of Sciences Publication Activity Database

    Jiříček, Petr; Cukr, Miroslav; Bartoš, Igor; Adell, M.; Strasser, T.; Schattke, W.

    2006-01-01

    Roč. 56, č. 1 (2006), s. 21-26 ISSN 0011-4626. [Symposium on Surface Physics /10./. Praha, 11.07.2005-15.07.2005] R&D Projects: GA ČR(CZ) GA202/04/0994 Institutional research plan: CEZ:AV0Z10100521 Keywords : GaAs(100)-c(4X4) * surface states * band structure * structure plot Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.568, year: 2006

  3. Features of carrier tunneling between the silicon valence band and metal in devices based on the Al/high-K oxide/SiO_2/Si structure

    International Nuclear Information System (INIS)

    Vexler, M. I.; Grekhov, I. V.

    2016-01-01

    The features of electron tunneling from or into the silicon valence band in a metal–insulator–semiconductor system with the HfO_2(ZrO_2)/SiO_2 double-layer insulator are theoretically analyzed for different modes. It is demonstrated that the valence-band current plays a less important role in structures with HfO_2(ZrO_2)/SiO_2 than in structures containing only silicon dioxide. In the case of a very wide-gap high-K oxide ZrO_2, nonmonotonic behavior related to tunneling through the upper barrier is predicted for the valence-band–metal current component. The use of an insulator stack can offer certain advantages for some devices, including diodes, bipolar tunnel-emitter transistors, and resonant-tunneling diodes, along with the traditional use of high-K insulators in a field-effect transistor.

  4. Ab-initio valence band spectra of Al, In doped ZnO

    International Nuclear Information System (INIS)

    Palacios, P.; Sanchez, K.; Wahnon, P.

    2009-01-01

    We present the structural and electronic characterization of n-doped (Aluminium or Indium) ZnO and the effect of the doping on the calculated photoelectron spectroscopy (PES) spectra. The fully-relaxed calculations have been made using the density functional theory, including a Hubbard correlation term that increases the Zn-3d states binding energy, and which matches the experimental values. The effect of Oxygen vacancies is also included in our study. Our results show that the new Al or In-donor levels appearing in the conduction band hybridize with the Oxygen-2p states and help decrease the resistivity of these doped systems as was found experimentally. The calculated PES spectra show a small enhancement in the intensity close to the chemical potential as a result of these new Al or In levels

  5. Magnetic dichroism in UV photoemission at off-normal emission: Study of the valence bands

    International Nuclear Information System (INIS)

    Venus, D.; Kuch, W.; Lin, M.; Schneider, C.M.; Ebert, H.; Kirschner, J.

    1997-01-01

    Magnetic dichroism of angle-resolved UV photoemission from fcc Co/Cu(001) thin films has been measured using linearly p-polarized light, and a coplanar geometry where the light and photoelectron wave vectors are antiparallel, and both are perpendicular to the in-plane sample magnetization. This geometry emphasizes information about state dispersion due to the crystalline symmetry. An orderly dispersion of the features in the magnetic dichroism over a wide range of off-normal angles of electron emission is related in detail to the bulk band structure of fcc Co. The measurements confirm the practical utility of magnetic dichroism experiments as a relatively simple complement to spin-resolved photoemission. copyright 1997 The American Physical Society

  6. Performance analysis for W-band antenna alignment using accurate mechanical beam steering

    DEFF Research Database (Denmark)

    Morales Vicente, Alvaro; Rodríguez Páez, Juan Sebastián; Gallardo, Omar

    2017-01-01

    This article presents a study of antenna alignment impact on bit error rate for a wireless link between two directive W-band horn antennas where one of them is mechanically steered by a Stewart platform. Such a technique is applied to find the optimal alignment between transmitter and receiver...... with an accuracy of 18 both in azimuth and elevation angles. The maximum degree of misalignment which can be tolerated is also reported for different values of optical power in the generation of W-band signals by photonic up-conversion. (C) 2017 Wiley Periodicals, Inc....

  7. Band alignment of atomic layer deposited MgO/Zn0.8Al0.2O heterointerface determined by charge corrected X-ray photoelectron spectroscopy

    Science.gov (United States)

    Yan, Baojun; Liu, Shulin; Yang, Yuzhen; Heng, Yuekun

    2016-05-01

    Pure magnesium (MgO) and zinc oxide doped with aluminum oxide (Zn0.8Al0.2O) were prepared via atomic layer deposition. We have studied the structure and band gap of bulk Zn0.8Al0.2O material by X-ray diffractometer (XRD) and Tauc method, and the band offsets and alignment of atomic layer deposited MgO/Zn0.8Al0.2O heterointerface were investigated systematically using X-ray photoelectron spectroscopy (XPS) in this study. Different methodologies, such as neutralizing electron gun, the use of C 1s peak recalibration and zero charging method, were applied to recover the actual position of the core levels in insulator materials which were easily influenced by differential charging phenomena. Schematic band alignment diagram, valence band offset (ΔEV) and conduction band offset (ΔEC) for the interface of the MgO/Zn0.8Al0.2O heterostructure have been constructed. An accurate value of ΔEV = 0.72 ± 0.11 eV was obtained from various combinations of core levels of heterojunction with varied MgO thickness. Given the experimental band gaps of 7.83 eV for MgO and 5.29 eV for Zn0.8Al0.2O, a type-II heterojunction with a ΔEC of 3.26 ± 0.11 eV was found. Band offsets and alignment studies of these heterojunctions are important for gaining deep consideration to the design of various optoelectronic devices based on such heterointerface.

  8. Determination of the band alignment of a-IGZO/a-IGMO heterojunction for high-electron mobility transistor application

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yi-Yu; Qian, Ling-Xuan; Liu, Xing-Zhao [School of Microelectronics and Solid-State Electronics, University of Electronic Science and Technology of China, Chengdu (China); State Key Laboratory of Electronic Thin Films and Integrated Devices, Chengdu (China)

    2017-10-15

    In the past decade, amorphous InGaZnO thin film transistors (a-IGZO TFTs) have become a very promising candidate for application in flat panel displays (FPDs). However, it is difficult to break through the mobility bottleneck of a-IGZO TFTs to obtain mobilities higher than 100 cm{sup 2} V{sup -1} s{sup -1}, thus limiting their use in more advanced applications. Construction of a high-electron mobility transistor (HEMT) based on a heterojunction structure could provide a solution for this problem. In this work, the band alignment of a-IGZO and amorphous InGaMgO (a-IGMO) heterojunction has been investigated using X-ray photoelectron spectroscopy (XPS) and transmission spectra measurements. The valence band (ΔE{sub V}) and conduction band offsets (ΔE{sub C}) were determined as 0.09 and 0.83 eV, respectively. The ΔE{sub C} was large enough to construct a potential well that could favor the appearance of a two-dimensional electron gas (2DEG). Hence, the achievement of an HEMT based on a-IGZO/a-IGMO heterojunction can be expected. Moreover, band bending contributed greatly to such a large ΔE{sub C}, and thus to the formation of electrical confinement structure. Our findings suggest that a-IGZO/a-IGMO heterojunction is a potential candidate for constructing a HEMT and thus breaking through the mobility bottleneck of a-IGZO-based TFTs for the applications in next-generation electronic products. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Determination of the band alignment of a-IGZO/a-IGMO heterojunction for high-electron mobility transistor application

    International Nuclear Information System (INIS)

    Zhang, Yi-Yu; Qian, Ling-Xuan; Liu, Xing-Zhao

    2017-01-01

    In the past decade, amorphous InGaZnO thin film transistors (a-IGZO TFTs) have become a very promising candidate for application in flat panel displays (FPDs). However, it is difficult to break through the mobility bottleneck of a-IGZO TFTs to obtain mobilities higher than 100 cm"2 V"-"1 s"-"1, thus limiting their use in more advanced applications. Construction of a high-electron mobility transistor (HEMT) based on a heterojunction structure could provide a solution for this problem. In this work, the band alignment of a-IGZO and amorphous InGaMgO (a-IGMO) heterojunction has been investigated using X-ray photoelectron spectroscopy (XPS) and transmission spectra measurements. The valence band (ΔE_V) and conduction band offsets (ΔE_C) were determined as 0.09 and 0.83 eV, respectively. The ΔE_C was large enough to construct a potential well that could favor the appearance of a two-dimensional electron gas (2DEG). Hence, the achievement of an HEMT based on a-IGZO/a-IGMO heterojunction can be expected. Moreover, band bending contributed greatly to such a large ΔE_C, and thus to the formation of electrical confinement structure. Our findings suggest that a-IGZO/a-IGMO heterojunction is a potential candidate for constructing a HEMT and thus breaking through the mobility bottleneck of a-IGZO-based TFTs for the applications in next-generation electronic products. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Orientation dependent band alignment for p-NiO/n-ZnO heterojunctions

    International Nuclear Information System (INIS)

    Ma, M. J.; Lu, B.; Zhou, T. T.; Ye, Z. Z.; Lu, J. G.; Pan, X. H.

    2013-01-01

    Nonpolor a-plane and polar c-plane ZnO thin films were prepared on r-plane sapphire and quartz substrates, respectively. The electronic structure of the interface between subsequently fabricated NiO/ZnO heterojunctions has been investigated by x-ray photoelectron spectroscopy measurements and the band offsets are determined together with information yielded from UV-vis transition spectra. It is found that a type-II band alignment forms at the interface for both the samples. The revealed ZnO-orientation dependent band offsets are analyzed and are attributed mainly due to the variations in internal electric field arose from spontaneous polarization effect. The accurate determination of the band alignment is important for the design and application of NiO/ZnO based hybrid devices.

  11. Orientation dependent band alignment for p-NiO/n-ZnO heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Ma, M. J.; Lu, B.; Zhou, T. T.; Ye, Z. Z.; Lu, J. G.; Pan, X. H. [State Key Laboratory of Silicon Materials, Cyrus Tang Center for Sensor Materials and Applications, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

    2013-04-28

    Nonpolor a-plane and polar c-plane ZnO thin films were prepared on r-plane sapphire and quartz substrates, respectively. The electronic structure of the interface between subsequently fabricated NiO/ZnO heterojunctions has been investigated by x-ray photoelectron spectroscopy measurements and the band offsets are determined together with information yielded from UV-vis transition spectra. It is found that a type-II band alignment forms at the interface for both the samples. The revealed ZnO-orientation dependent band offsets are analyzed and are attributed mainly due to the variations in internal electric field arose from spontaneous polarization effect. The accurate determination of the band alignment is important for the design and application of NiO/ZnO based hybrid devices.

  12. Multiband model of the valence-band electronic structure in cylindrical GaAs nanowires

    Directory of Open Access Journals (Sweden)

    Čukarić Nemanja A.

    2010-01-01

    Full Text Available We compute the hole states in the GaAs free-standing nanowires, and in the GaAs/(Al,GaAs core-shell nanowires of type I-s, which are grown along the [100] direction. The hole states are extracted from the 4-band Luttinger-Kohn Hamiltonian, which explicitly takes into account mixing between the light and heavy holes. The axial aproximation is adopted, which allowed classification of states according to the total angular monentum (fz when expressed in units of the Planck constant. The envelope functions are expanded in Bessel functions of the first kind. The dispersion relations of the subbands E(kz obtained by the devised method do not resemble parabolas, which is otherwise a feature of the dispersion relations of the conduction subbands. Furthermore, the energy levels of holes whose total orbital momentum is fz=1/2 are shown to cross for a free-standing wire. The low energy fz=1/2 states are found to anticross, but these anticrossings turn into crossings when the ratio of the inner and outer radius of the core-shell wire takes a certain value. The influence of the geometric parameters on the dispersion relations is considered for both free standing and core-shell nanowires.

  13. Band alignment of HfO{sub 2}/In{sub 0.18}Al{sub 0.82}N determined by angle-resolved x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Owen, Man Hon Samuel, E-mail: m.owen.sg@ieee.org, E-mail: yeo@ieee.org; Bhuiyan, Maruf Amin; Yeo, Yee-Chia, E-mail: m.owen.sg@ieee.org, E-mail: yeo@ieee.org [Department of Electrical and Computer Engineering, National University of Singapore, Singapore 119260 (Singapore); Zhang, Zheng; Pan, Ji Sheng [Institute of Materials Research and Engineering, A*STAR (Agency for Science, Technology and Research), 3 Research Link, Singapore 117602 (Singapore); Tok, Eng Soon [Department of Physics, National University of Singapore, Singapore 117551 (Singapore)

    2014-07-21

    The band-alignment of atomic layer deposited (ALD)-HfO{sub 2}/In{sub 0.18}Al{sub 0.82}N was studied by high resolution angle-resolved X-ray photoelectron spectroscopy measurements. The band bending near the HfO{sub 2}/In{sub 0.18}Al{sub 0.82}N interface was investigated, and the potential variation across the interface was taken into account in the band alignment calculation. It is observed that the binding energies for N 1s and Al 2p in In{sub 0.18}Al{sub 0.82}N decreases and the corresponding extracted valence band offsets increases with increasing θ (i.e., closer to the HfO{sub 2}/In{sub 0.18}Al{sub 0.82}N interface), as a result of an upward energy band bending towards the HfO{sub 2}/In{sub 0.18}Al{sub 0.82}N interface. The resultant valence band offset and the conduction band offset for the ALD-HfO{sub 2}/In{sub 0.18}Al{sub 0.82}N interface calculated was found to be 0.69 eV and 1.01 eV, respectively.

  14. Polarization Dependent Bulk-sensitive Valence Band Photoemission Spectroscopy and Density Functional Theory Calculations: Part I. 3d Transition Metals

    Science.gov (United States)

    Ueda, Shigenori; Hamada, Ikutaro

    2017-12-01

    The X-ray polarization dependent valence band HAXPES spectra of 3d transition metals (TMs) of Ti-Zn were measured to investigate the orbital resolved electronic structures by utilizing that the fact the photoionization cross-section of the atomic orbitals strongly depends on the experimental geometry. We have calculated the HAXPES spectra, which correspond to the cross-section weighted densities of states (CSW-DOSs), where the DOSs were obtained by the density functional theory calculations, and we have determined the relative photoionization cross-sections of the 4s and 4p orbitals to the 3d orbital in the 3d TMs. The experimentally obtained bulk-sensitive 3d and 4s DOSs were good agreement with the calculated DOSs in Ti, V, Cr, and Cu. In contrast, the deviations between the experimental and calculated 3d DOSs for Mn, Fe, Co, Ni were found, suggesting that the electron correlation plays an important role in the electronic structures for these materials.

  15. Conductance of Conjugated Molecular Wires: Length Dependence, Anchoring Groups, and Band Alignment

    DEFF Research Database (Denmark)

    Peng, Guowen; Strange, Mikkel; Thygesen, Kristian Sommer

    2009-01-01

    , is not solely determined by the intrinsic band gap of the molecular wire but also depends on the anchoring group. This is because the alignment of the metal Fermi level with respect to the molecular levels is controlled by charge transfer and interface dipoles which in turn are determined by the local chemistry...

  16. Band Alignment Determination of Two-Dimensional Heterojunctions and Their Electronic Applications

    KAUST Repository

    Chiu, Ming-Hui

    2018-05-09

    Two-dimensional (2D) layered materials such as MoS2 have been recognized as high on-off ratio semiconductors which are promising candidates for electronic and optoelectronic devices. In addition to the use of individual 2D materials, the accelerated field of 2D heterostructures enables even greater functionalities. Device designs differ, and they are strongly controlled by the electronic band alignment. For example, photovoltaic cells require type II heterostructures for light harvesting, and light-emitting diodes benefit from multiple quantum wells with the type I band alignment for high emission efficiency. The vertical tunneling field-effect transistor for next-generation electronics depends on nearly broken-gap band alignment for boosting its performance. To tailor these 2D layered materials toward possible future applications, the understanding of 2D heterostructure band alignment becomes critically important. In the first part of this thesis, we discuss the band alignment of 2D heterostructures. To do so, we firstly study the interlayer coupling between two dissimilar 2D materials. We conclude that a post-anneal process could enhance the interlayer coupling of as-transferred 2D heterostructures, and heterostructural stacking imposes similar symmetry changes as homostructural stacking. Later, we precisely determine the quasi particle bandgap and band alignment of the MoS2/WSe2 heterostructure by using scan tunneling microscopy/spectroscopy (STM/S) and micron-beam X-ray photoelectron spectroscopy (μ-XPS) techniques. Lastly, we prove that the band alignment of 2D heterojunctions can be accurately predicted by Anderson’s model, which has previously failed to predict conventional bulk heterostructures. In the second part of this thesis, we develop a new Chemical Vapor Deposition (CVD) method capable of precisely controlling the growth area of p- and n-type transition metal dichalcogenides (TMDCs) and further form lateral or vertical 2D heterostructures. This

  17. First determination of the valence band dispersion of CH3NH3PbI3 hybrid organic-inorganic perovskite

    Science.gov (United States)

    Lee, Min-I.; Barragán, Ana; Nair, Maya N.; Jacques, Vincent L. R.; Le Bolloc'h, David; Fertey, Pierre; Jemli, Khaoula; Lédée, Ferdinand; Trippé-Allard, Gaëlle; Deleporte, Emmanuelle; Taleb-Ibrahimi, Amina; Tejeda, Antonio

    2017-07-01

    The family of hybrid organic-inorganic halide perovskites is in the limelight because of their recently discovered high photovoltaic efficiency. These materials combine photovoltaic energy conversion efficiencies exceeding 22% and low-temperature and low-cost processing in solution; a breakthrough in the panorama of renewable energy. Solar cell operation relies on the excitation of the valence band electrons to the conduction band by solar photons. One factor strongly impacting the absorption efficiency is the band dispersion. The band dispersion has been extensively studied theoretically, but no experimental information was available. Herein, we present the first experimental determination of the valence band dispersion of methylammonium lead halide in the tetragonal phase. Our results pave the way for contrasting the electronic hopping or the electron effective masses in different theories by comparing to our experimental bands. We also show a significant broadening of the electronic states, promoting relaxed conditions for photon absorption, and demonstrate that the tetragonal structure associated to the octahedra network distortion below 50 °C induces only a minor modification of the electronic bands, with respect to the cubic phase at high temperature, thus minimizing the impact of the cubic-tetragonal transition on solar cell efficiencies.

  18. Effect of phase formation on valence band photoemission and photoresonance study of Ti/Ni multilayers using synchrotron radiation

    International Nuclear Information System (INIS)

    Bhatt, Pramod; Chaudhari, S.M.

    2006-01-01

    This paper presents investigation of Ti-Ni alloy phase formation and its effect on valence band (VB) photoemission and photoresonance study of as-deposited as well as annealed Ti/Ni multilayers (MLs) up to 600 deg. C using synchrotron radiation. For this purpose [Ti (50 A)/Ni (50 A)]X 10 ML structures were deposited by using electron-beam evaporation technique under ultra-high vacuum (UHV) conditions. Formation of different phases of Ti-Ni alloy due to annealing treatment has been confirmed by the X-ray diffraction (XRD) technique. The XRD pattern corresponding as-deposited ML sample shows crystalline nature of both Ti and Ni deposited layers, whereas 300 deg. C annealed ML sample show solid-state reaction (SSR) leading to amorphization and subsequent recrystallisation at higher temperatures of annealing (≥400 deg. C) with the formation of TiNi, TiNi 3 and Ti 2 Ni alloy phases. The survey scans corresponding to 400, 500 and 600 deg. C annealed ML sample shows interdiffusion and intermixing of Ni atoms into Ti layers leading to chemical Ti-Ni alloys phase formation at interface. The corresponding recorded VB spectra using synchrotron radiation at 134 eV on as-deposited ML sample with successive sputtering shows alternately photoemission bands due to Ti 3d and Ni 3d, respectively, indicating there is no mixing of the consequent layers and any phase formation at the interface during deposition. However, ML samples annealed at higher temperatures of annealing, particularly at 400, 500 and 600 deg. C show a clear shift in Ni 3d band and its satellite peak position to higher BE side indicates Ti-Ni alloy phase formation. In addition to this, reduction of satellite peak intensity and Ni 3d density of states (DOS) near Fermi level is also observed due to Ti-Ni phase formation with higher annealing temperatures. The variable photon energy VB measurements on as-deposited and ML samples annealed at 400 deg. C confirms existence and BE position of observed Ni 3d satellite

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  20. Band alignment of InGaZnO4/Si interface by hard x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Lee, Kyeongmi; Kamiya, Toshio; Nomura, Kenji; Yanagi, Hiroshi; Ikenaga, Eiji; Sugiyama, Takeharu; Kobayashi, Keisuke; Hosono, Hideo

    2012-01-01

    Although amorphous InGaZnO 4 has intensively been studied for a semiconductor channel material of thin-film transistors in next-generation flat-panel displays, its electronic structure parameters have not been reported. In this work, the electron affinities (χ) and the ionization potentials (I p ) of crystalline and amorphous InGaZnO 4 (c-IGZO and a-IGZO) were measured using bulk-sensitive hard x-ray photoelectron spectroscopy. First, the χ and I p values of c-IGZO and a-IGZO thin films were estimated by aligning the Zn 2p 3/2 core level energies to a literature value for ZnO, which provided χ = 3.90 eV and I p = 7.58 eV for c-IGZO and 4.31 eV and 7.41 eV for a-IGZO. It was also confirmed that the escape depth of the photoelectrons excited by the photon energy of 5950.2 eV is 3.3 nm for a-IGZO and large enough for directly measuring the interface electronic structure using a-IGZO/c-Si heterojunctions. It provided the valence band offset of ∼2.3 eV, which agrees well with the above data. The present results substantiate that the a-IGZO/c-Si interface follows well the Schottky-Mott rule.

  1. Unexpected alignment patterns in high-j intruder bands evidence for a strong residual neutron proton interaction?

    International Nuclear Information System (INIS)

    Wyss, R.; Johnson, A.; Royal Inst. of Tech., Stockholm

    1990-01-01

    The alignment of h 11/12 protons in νi 13/2 intruder bands in mass A = 130 region is investigated. The lack of a clear h 11/12 band crossing is compared with the alignment pattern of i 13/2 neutrons in πi 13/2 intruder bands in mass A = 180 region. The very smooth rise in angular momentum in the intruder bands is related to a possible neutron proton interaction between the single intruder orbital and the aligned two-quasiparticle configuration. 36 refs., 3 figs

  2. Valence-band and core-level photoemission study of single-crystal Bi2CaSr2Cu2O8 superconductors

    International Nuclear Information System (INIS)

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

    1988-01-01

    High-quality single crystals of Bi 2 CaSr 2 Cu 2 O 8 superconductors have been prepared and cleaved in ultrahigh vacuum. Low-energy electron diffraction measurements show that the surface structure is consistent with the bulk crystal structure. Ultraviolet photoemission and x-ray photoemission experiments were performed on these well-characterized sample surfaces. The valence-band and the core-level spectra obtained from the single-crystal surfaces are in agreement with spectra recorded from polycrystalline samples, justifying earlier results from polycrystalline samples. Cu satellites are observed both in the valence band and Cu 2p core level, signaling the strong correlation among the Cu 3d electrons. The O 1s core-level data exhibit a sharp, single peak at 529-eV binding energy without any clear satellite structures

  3. Structural, electronic structure, and band alignment properties at epitaxial NiO/Al{sub 2}O{sub 3} heterojunction evaluated from synchrotron based X-ray techniques

    Energy Technology Data Exchange (ETDEWEB)

    Singh, S. D., E-mail: devsh@rrcat.gov.in; Das, Arijeet; Ajimsha, R. S.; Upadhyay, Anuj; Kamparath, Rajiv; Mukherjee, C.; Misra, P.; Rai, S. K.; Sinha, A. K.; Ganguli, Tapas [Raja Ramanna Centre for Advanced Technology, Indore, Madhya Pradesh 452013 (India); Nand, Mangla; Jha, S. N. [Bhabha Atomic Research Centre, Mumbai, Maharashtra 400085 (India); Shukla, D. K.; Phase, D. M. [UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore, Madhya Pradesh 452017 (India)

    2016-04-28

    The valence band offset value of 2.3 ± 0.2 eV at epitaxial NiO/Al{sub 2}O{sub 3} heterojunction is determined from photoelectron spectroscopy experiments. Pulsed laser deposited thin film of NiO on Al{sub 2}O{sub 3} substrate is epitaxially grown along [111] direction with two domain structures, which are in-plane rotated by 60° with respect to each other. Observation of Pendellosung oscillations around Bragg peak confirms high interfacial and crystalline quality of NiO layer deposited on Al{sub 2}O{sub 3} substrate. Surface related feature in Ni 2p{sub 3/2} core level spectra along with oxygen K-edge soft X-ray absorption spectroscopy results indicates that the initial growth of NiO on Al{sub 2}O{sub 3} substrate is in the form of islands, which merge to form NiO layer for the larger coverage. The value of conduction band offset is also evaluated from the measured values of band gaps of NiO and Al{sub 2}O{sub 3} layers. A type-I band alignment at NiO and Al{sub 2}O{sub 3} heterojunction is also obtained. The determined values of band offsets can be useful in heterojunction based light emitting devices.

  4. Density Functional Theory Calculation of the Band Alignment of (101̅0) In(x)Ga(1-x)N/Water Interfaces.

    Science.gov (United States)

    Meng, Andrew C; Cheng, Jun; Sprik, Michiel

    2016-03-03

    Conduction band edge (CBE) and valence band edge (VBE) positions of InxGa1-xN photoelectrodes were computed using density functional theory methods. The band edges of fully solvated GaN and InN model systems were aligned with respect to the standard hydrogen electrode using a molecular dynamics hydrogen electrode scheme applied earlier to TiO2/water interfaces. Similar to the findings for TiO2, we found that the Purdew-Burke-Ernzerhof (PBE) functional gives a VBE potential which is too negative by 1 V. This cathodic bias is largely corrected by application of the Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional containing a fraction of Hartree-Fock exchange. The effect of a change of composition was investigated using simplified model systems consisting of vacuum slabs covered on both sides by one monolayer of H2O. The CBE was found to vary linearly with In content. The VBE, in comparison, is much less sensitive to composition. The data show that the band edges straddle the hydrogen and oxygen evolution potentials for In fractions less than 47%. The band gap was found to exceed 2 eV for an In fraction less than 54%.

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

    Directory of Open Access Journals (Sweden)

    Diana E. Proffit

    2010-11-01

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

  6. Influence of LaSiOx passivation interlayer on band alignment between PEALD-Al2O3 and 4H-SiC determined by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Wang, Qian; Cheng, Xinhong; Zheng, Li; Shen, Lingyan; Zhang, Dongliang; Gu, Ziyue; Qian, Ru; Cao, Duo; Yu, Yuehui

    2018-01-01

    The influence of lanthanum silicate (LaSiOx) passivation interlayer on the band alignment between plasma enhanced atomic layer deposition (PEALD)-Al2O3 films and 4H-SiC was investigated by high resolution X-ray photoelectron spectroscopy (XPS). An ultrathin in situ LaSiOx interfacial passivation layer (IPL) was introduced between the Al2O3 gate dielectric and the 4H-SiC substrate to enhance the interfacial characteristics. The valence band offset (VBO) and corresponding conduction band offset (CBO) for the Al2O3/4H-SiC interface without any passivation were extracted to be 2.16 eV and 1.49 eV, respectively. With a LaSiOx IPL, a VBO of 1.79 eV and a CBO of 1.86 eV could be obtained across the Al2O3/4H-SiC interface. The difference in the band alignments was dominated by the band bending or band shift in the 4H-SiC substrate as a result of different interfacial layers (ILs) formed at the interface. This understanding of the physical details of the band alignment could be a good foundation for Al2O3/LaSiOx/4H-SiC heterojunctions applied in the 4H-SiC metal-oxide-semiconductor field effect transistors (MOSFETs).

  7. Alignments of multi-quasiparticle bands and seniority-dependent reduced pairing

    International Nuclear Information System (INIS)

    Dracoulis, G.D.

    1994-09-01

    Pairing correlations in multi-quasiparticle states in deformed nuclei are expected to be reduced because of blocking. New intrinsic states and their associated rotational bands have been identified allowing comparisons to be made as a function of seniority and between nuclei. The possible effects of the reduced pairing on the collective rotation, and its manifestation in terms of alignment, are discussed. 13 refs., 2 figs

  8. Band alignment in organic devices: Photoemission studies of model oligomers on In2O3

    International Nuclear Information System (INIS)

    Blyth, R. I. R.; Duschek, R.; Koller, G.; Netzer, F. P.; Ramsey, M. G.

    2001-01-01

    The interfaces of In 2 O 3 , a model for indium - tin - oxide (ITO), with benzene, thiophene, and benzaldehyde, models for technologically important organic molecules, are studied using angle resolved ultraviolet photoemission and work function measurements. Band alignment diagrams for hypothetical Al/organic/ITO devices have been drawn, using values determined from this work and previously published studies of these molecules on Al(111). The similarity between the bonding of benzene and thiophene on Al(111) and In 2 O 3 , i.e., largely electrostatic, leads to near identical alignment at both metal and oxide interfaces. This indicates that clean Al and ITO will make a very poor electron/hole injecting pair. We suggest that the apparent efficiency of Al as an electron injecting contact in real devices is due to the presence of oxygen at the Al/organic interface. For benzaldehyde the interaction with In 2 O 3 is largely electrostatic, in contrast to the covalent bonds formed on Al(111). This leads to very different alignment at the Al and oxide interfaces, showing the importance of the particular organic - inorganic interaction in determining band alignment. [copyright] 2001 American Institute of Physics

  9. Layer-dependent band alignment and work function of few-layer phosphorene.

    Science.gov (United States)

    Cai, Yongqing; Zhang, Gang; Zhang, Yong-Wei

    2014-10-20

    Using first-principles calculations, we study the electronic properties of few-layer phosphorene focusing on layer-dependent behavior of band gap, work function band alignment and carrier effective mass. It is found that few-layer phosphorene shows a robust direct band gap character, and its band gap decreases with the number of layers following a power law. The work function decreases rapidly from monolayer (5.16 eV) to trilayer (4.56 eV), and then slowly upon further increasing the layer number. Compared to monolayer phosphorene, there is a drastic decrease of hole effective mass along the ridge (zigzag) direction for bilayer phosphorene, indicating a strong interlayer coupling and screening effect. Our study suggests that 1). Few-layer phosphorene with a layer-dependent band gap and a robust direct band gap character is promising for efficient solar energy harvest. 2). Few-layer phosphorene outperforms monolayer counterpart in terms of a lighter carrier effective mass, a higher carrier density and a weaker scattering due to enhanced screening. 3). The layer-dependent band edges and work functions of few-layer phosphorene allow for modification of Schottky barrier with enhanced carrier injection efficiency. It is expected that few-layer phosphorene will present abundant opportunities for a plethora of new electronic applications.

  10. Size and strain tunable band alignment of black-blue phosphorene lateral heterostructures.

    Science.gov (United States)

    Li, Yan; Ma, Fei

    2017-05-17

    Single-element lateral heterostructures composed of black and blue phosphorene are not only free from lattice mismatch but also exhibit rich physical properties related to the seamlessly stitched interfaces, providing the building blocks for designing atomically thin devices. Using first-principles calculations, we investigate the influence of interface structure, size effect and strain engineering on the electronic structure, effective masses and band alignment of black-blue phosphorene lateral heterostructures. The lateral heterostructure with an octatomic-ring interface presents a strong metallic feature due to the interface states, while a metal-semiconductor transition takes place in the system with a hexatomic-ring interface upon hydrogen passivation. Following a reciprocal scaling law, the band gap is tuned in a wide energy range by synchronously increasing the widths of black and blue phosphorene or by only widening that of black phosphorene. Moreover, type-II band alignment is observed in the width ranges of 2.0-3.1 nm and 3.7-4.2 nm, out of which it is type-I. However, the band gap and effective masses show small changes if only the width of blue phosphorene is altered. When the lateral heterostructure is tensile loaded, the effective mass ratio of hole to electron is enlarged by an order of magnitude at a strain of 4% along the zigzag direction. Meanwhile, the band alignment undergoes a crossover from type-I to type-II at a strain of 2%, facilitating efficient electron-hole separation for light detection and harvesting.

  11. Band alignment and defects of the diamond zinc oxide heterojunction; Bandstruktur und Defekte der Diamant-Zinkoxid-Heterostruktur

    Energy Technology Data Exchange (ETDEWEB)

    Geithner, Peter

    2008-09-12

    Zinc oxide films were grown on diamond single crystals by rf sputtering of zinc oxide. The valence and conduction band offset was determined by photoelectron spectroscopy. A deep defect occurring in the zinc oxide films on diamond was characterized by cathodoluminescence spectroscopy. (orig.)

  12. Control of Ge1-x-ySixSny layer lattice constant for energy band alignment in Ge1-xSnx/Ge1-x-ySixSny heterostructures

    Science.gov (United States)

    Fukuda, Masahiro; Watanabe, Kazuhiro; Sakashita, Mitsuo; Kurosawa, Masashi; Nakatsuka, Osamu; Zaima, Shigeaki

    2017-10-01

    The energy band alignment of Ge1-xSnx/Ge1-x-ySixSny heterostructures was investigated, and control of the valence band offset at the Ge1-xSnx/Ge1-x-ySixSny heterointerface was achieved by controlling the Si and Sn contents in the Ge1-x-ySixSny layer. The valence band offset in the Ge0.902Sn0.098/Ge0.41Si0.50Sn0.09 heterostructure was evaluated to be as high as 330 meV, and its conduction band offset was estimated to be 150 meV by considering the energy bandgap calculated from the theoretical prediction. In addition, the formation of the strain-relaxed Ge1-x-ySixSny layer was examined and the crystalline structure was characterized. The epitaxial growth of a strain-relaxed Ge0.64Si0.21Sn0.15 layer with the degree of strain relaxation of 55% was examined using a virtual Ge substrate. Moreover, enhancement of the strain relaxation was demonstrated by post-deposition annealing, where a degree of strain relaxation of 70% was achieved after annealing at 400 °C. These results indicate the possibility for enhancing the indirect-direct crossover with a strained and high-Sn-content Ge1-xSnx layer on a strain-relaxed Ge1-x-ySixSny layer, realizing preferable carrier confinement by type-I energy band alignment with high conduction and valence band offsets.

  13. Interface energy band alignment at the all-transparent p-n heterojunction based on NiO and BaSnO3

    Science.gov (United States)

    Zhang, Jiaye; Han, Shaobo; Luo, Weihuang; Xiang, Shuhuai; Zou, Jianli; Oropeza, Freddy E.; Gu, Meng; Zhang, Kelvin H. L.

    2018-04-01

    Transparent oxide semiconductors hold great promise for many optoelectronic devices such as transparent electronics, UV-emitting devices, and photodetectors. A p-n heterojunction is the most ubiquitous building block to realize these devices. In this work, we report the fabrication and characterization of the interface properties of a transparent heterojunction consisting of p-type NiO and n-type perovskite BaSnO3. We show that high-quality NiO thin films can be epitaxially grown on BaSnO3 with sharp interfaces because of a small lattice mismatch (˜1.3%). The diode fabricated from this heterojunction exhibits rectifying behavior with a ratio of 500. X-ray photoelectron spectroscopy reveals a type II or "staggered" band alignment with valence and conduction band offsets of 1.44 eV and 1.86 eV, respectively. Moreover, a large upward band bending potential of 0.90 eV for BaSnO3 and a downward band bending potential of 0.15 eV for NiO were observed in the interface region. Such electronic properties have important implication for optoelectronic applications as the large built-in potential provides favorable energetics for photo-generated electron-hole separation/migration.

  14. Change in crystalline structure and band alignment in atomic-layer-deposited HfO{sub 2} on InPusing an annealing treatment

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Yu-Seon; Kim, Dae-Kyoung; Cho, Mann-Ho [Institute of Physics and Applied Physics, Yonsei University, Seoul 120-749 (Korea, Republic of); Seo, Jung-Hye [Division of Materials Science, Korea Basic Science Institute, Daejeon 305-333 (Korea, Republic of); Shon, Hyun Kyong; Lee, Tae Geol [Korea Research Institute of Standards and Science, Daejeon 305-540 (Korea, Republic of); Cho, Young Dae; Kim, Sun-Wook; Ko, Dae-Hong [Department of Material Science and Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Kim, Hyoungsub [School of Advanced Materials Science and Engineering, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of)

    2013-08-15

    Changes in structural characteristics and band alignments of atomic-layer-deposited HfO{sub 2} films on InP (001) as a function of annealing temperature and film thickness were investigated using various analytical techniques. After an annealing at temperatures over 500 C, the HfO{sub 2} films were converted into a fully crystalline structure with a tetragonal phase with no detectable interfacial layer between the film and the InP substrate. In-P-O states, produced by interfacial reactions, were increased during the post deposition annealing (PDA) process and oxides were detected in the surface region of the HfO{sub 2} film, indicating that In and P atoms had out-diffused. The E{sub g} value of the as-grown HfO{sub 2} film was found to be 5.80 {+-} 0.1 eV. After the PDA treatment, the optical band gap and valence band offset values were significantly affected by the interfacial oxide states between the HfO{sub 2} film and InP substrate. Moreover, band bending in InP, due to negative space charges generated by an unstable P-rich interfacial state during atomic layer deposition process was decreased after the annealing treatment. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

    Science.gov (United States)

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

    2014-12-15

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

  16. Electronic Structure and Band Alignment at the NiO and SrTiO 3 p–n Heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Kelvin H. L. [Department of Materials Science & amp, Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, U.K.; Wu, Rui [Department of Materials Science & amp, Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, U.K.; Tang, Fengzai [Department of Materials Science & amp, Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, U.K.; Li, Weiwei [Department of Materials Science & amp, Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, U.K.; Oropeza, Freddy E. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, U.K.; Qiao, Liang [School of Materials, The University of Manchester, Manchester M13 9PL, U.K.; Lazarov, Vlado K. [Department of Physics, University of York, Heslington, York YO10 5DD, U.K.; Du, Yingge [Physical Sciences Division, Physical & amp, Computational; Payne, David J. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, U.K.; MacManus-Driscoll, Judith L. [Department of Materials Science & amp, Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, U.K.; Blamire, Mark G. [Department of Materials Science & amp, Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, U.K.

    2017-07-25

    Understanding the energetics at the interface including the alignment of valence and conduction bands, built-in potentials, and ionic and electronic reconstructions, is an important challenge in designing oxide interfaces that have controllable multi-functionalities for novel (opto-)electronic devices. In this work, we report detailed investigations on the hetero-interface of wide bandgap p-type NiO and n-type SrTiO3 (STO). We show that despite a large lattice mismatch (~7%) and dissimilar crystal structure, high-quality NiO and Li doped NiO (LNO) thin films can be epitaxially grown on STO(001) substrates through a domain matching epitaxy (DME) mechanism. X-ray photoelectron spectroscopy (XPS) studies indicate that NiO/STO heterojunctions form a type II “staggered” band alignment. In addition, a large built-in potential of up to 0.97 eV was observed at the interface of LNO and Nb doped STO (NbSTO). The LNO/NbSTO p-n heterojunctions exhibit a large rectification ratio of 2×103, but also a large ideality factor of 4.3. The NiO/STO p-n heterojunctions have important implication for applications in photocatalysis and photodetector as the interface provides favourable energetics for facile separation and transport of photogenerated electrons and holes.

  17. 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.

  18. A class of monolayer metal halogenides MX{sub 2}: Electronic structures and band alignments

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Feng; Wang, Weichao; Luo, Xiaoguang; Cheng, Yahui; Dong, Hong; Liu, Hui; Wang, Wei-Hua, E-mail: whwangnk@nankai.edu.cn [Department of Electronics and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Nankai University, Tianjin 300071 (China); Xie, Xinjian [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China)

    2016-03-28

    With systematic first principles calculations, a class of monolayer metal halogenides MX{sub 2} (M = Mg, Ca, Zn, Cd, Ge, Pb; M = Cl, Br, I) has been proposed. Our study indicates that these monolayer materials are semiconductors with the band gaps ranging from 2.03 eV of ZnI{sub 2} to 6.08 eV of MgCl{sub 2}. Overall, the band gap increases with the increase of the electronegativity of the X atom or the atomic number of the metal M. Meanwhile, the band gaps of monolayer MgX{sub 2} (X = Cl, Br) are direct while those of other monolayers are indirect. Based on the band edge curvatures, the derived electron (m{sub e}) and hole (m{sub h}) effective masses of MX{sub 2} monolayers are close to their corresponding bulk values except that the m{sub e} of CdI{sub 2} is three times larger and the m{sub h} for PbI{sub 2} is twice larger. Finally, the band alignments of all the studied MX{sub 2} monolayers are provided using the vacuum level as energy reference. These theoretical results may not only introduce the monolayer metal halogenides family MX{sub 2} into the emerging two-dimensional materials, but also provide insights into the applications of MX{sub 2} in future electronic, visible and ultraviolet optoelectronic devices.

  19. Ferroelectric switching of band alignments in LSMO/PZT/Co multiferroic tunnel junctions: an ab initio study.

    Science.gov (United States)

    Imam, M; Stojić, N; Binggeli, N

    2017-08-04

    Band alignments in ferroelectric tunnel junctions (FTJs) are expected to play a critical role in determining the charge transport across the tunneling barrier. In general, however, the interface band discontinuities and their polarization dependence are not well known in these systems. Using a first-principles density-functional-theory approach, we explore the ferroelectric (FE) polarization dependence of the band alignments in [Formula: see text] (LSMO/PZT/Co) multiferroic tunnel junctions, for which recent experiments indicated an ON/OFF conductivity behavior upon switching the PZT FE polarization. Our results on the pseudomorphic defect-free LSMO/PZT/Co FTJs evidence a major FE switching effect on the band discontinuities at both interfaces. Based on the changes in the band alignments, we provide a possible explanation for the observed trends in the resistive switching.

  20. Band alignment and interfacial chemical structure of the HfLaO/InGaZnO4 heterojunction investigated by x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Qian, Ling-Xuan; Wu, Ze-Han; Zhang, Yi-Yu; Liu, Xing-Zhao; Li, Yan-Rong; Liu, Yuan; Song, Jia-Qi

    2017-01-01

    Amorphous InGaZnO 4 thin film transistors (a-IGZO TFTs) with HfLaO gate dielectrics have been widely demonstrated to possess extremely excellent electrical characteristics, and thus show great potential for applications in various next-generation electronic products. Nevertheless, the in-depth understanding of HfLaO/IGZO interfacial features is still lacking, which makes further device optimization lack clear guidance. In this work, the band alignment and interfacial chemical structure of a sputtering-prepared HfLaO/IGZO heterojunction was investigated through x-ray photoelectron spectroscopy. The valence and conduction band offsets (Δ E v and Δ E c ) at the interface were determined to be 0.57 eV and 1.48 eV, respectively. The relatively large Δ E v is mainly attributed to the formation of the interfacial layer (IL) and thus the upward band bending from IGZO to the surface of HfLaO. Furthermore, it was found that the oxygen vacancies on the surface of IGZO were significantly suppressed upon the deposition of HfLaO, which not only explained the previously reported ultrahigh performance of a-IGZO/HfLaO TFTs to some extent, but also additionally validated the formation of the IL. Our findings have successfully revealed the importance of ILs in modifying the band alignment and interfacial trap states of HfLaO/IGZO heterojunctions, thus suggesting a potential route to further optimizing a-IGZO/HfLaO TFTs so as to satisfy the requirements of next-generation technologies. (paper)

  1. Energy band alignment at ferroelectric/electrode interface determined by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Chen Feng; Wu Wen-Bin; Li Shun-Yi; Klein Andreas

    2014-01-01

    The most important interface-related quantities determined by band alignment are the barrier heights for charge transport, given by the Fermi level position at the interface. Taking Pb(Zr,Ti)O 3 (PZT) as a typical ferroelectric material and applying X-ray photoelectron spectroscopy (XPS), we briefly review the interface formation and barrier heights at the interfaces between PZT and electrodes made of various metals or conductive oxides. Polarization dependence of the Schottky barrier height at a ferroelectric/electrode interface is also directly observed using XPS. (topical review - magnetism, magnetic materials, and interdisciplinary research)

  2. Large shift and small broadening of Br2 valence band upon dimer formation with H2O: an ab initio study.

    Science.gov (United States)

    Franklin-Mergarejo, Ricardo; Rubayo-Soneira, Jesus; Halberstadt, Nadine; Ayed, Tahra; Bernal-Uruchurtu, Margarita I; Hernández-Lamoneda, Ramón; Janda, Kenneth C

    2011-06-16

    Valence electronic excitation spectra are calculated for the H(2)O···Br(2) complex using highly correlated ab initio potentials for both the ground and the valence electronic excited states and a 2-D approximation for vibrational motion. Due to the strong interaction between the O-Br and the Br-Br stretching motions, inclusion of these vibrations is the minimum necessary for the spectrum calculation. A basis set calculation is performed to determine the vibrational wave functions for the ground electronic state and a wave packet simulation is conducted for the nuclear dynamics on the excited state surfaces. The effects of both the spin-orbit interaction and temperature on the spectra are explored. The interaction of Br(2) with a single water molecule induces nearly as large a shift in the spectrum as is observed for an aqueous solution. In contrast, complex formation has a remarkably small effect on the T = 0 K width of the valence bands due to the fast dissociation of the dihalogen bond upon excitation. We therefore conclude that the widths of the spectra in aqueous solution are mostly due to inhomogeneous broadening. © 2011 American Chemical Society

  3. What is the band alignment of Cu2ZnSn(S,Se)4 solar cells?

    DEFF Research Database (Denmark)

    Crovetto, Andrea; Hansen, Ole

    2017-01-01

    The band alignment at the Cu2ZnSn(S,Se)4/CdS solar cell heterojunction is a controversial issue, as different measurements and calculations point to substantially different conduction band offsets (CBO). As the actual value of the CBO has profound implications on solar cell performance, the aim...... of this work is to separate genuine process-dependent variations in the CBO from errors in its experimental determination. We argue that the two most likely mechanisms responsible for real CBO variations are Fermi level pinning (which tends to decrease the CBO) and chemical interdiffusion (which tends...... measurement approaches. Interestingly, a rough correlation can be established between the CBO measured at the Cu2ZnSnS4/CdS interface by different groups and their corresponding solar cell efficiency: lower-efficiency cells often have a large "cliff-like" offset, whereas most high-efficiency cells have...

  4. Size and alloying induced shift in core and valence bands of Pd-Ag and Pd-Cu nanoparticles

    International Nuclear Information System (INIS)

    Sengar, Saurabh K.; Mehta, B. R.; Govind

    2014-01-01

    In this report, X-ray photoelectron spectroscopy studies have been carried out on Pd, Ag, Cu, Pd-Ag, and Pd-Cu nanoparticles having identical sizes corresponding to mobility equivalent diameters of 60, 40, and 20 nm. The nanoparticles were prepared by the gas phase synthesis method. The effect of size on valence and core levels in metal and alloy nanoparticles has been studied by comparing the values to those with the 60 nm nanoparticles. The effect of alloying has been investigated by comparing the valence and core level binding energies of Pd-Cu and Pd-Ag alloy nanoparticles with the corresponding values for Pd, Ag, and Cu nanoparticles of identical sizes. These effects have been explained in terms of size induced lattice contractions, alloying induced charge transfer, and hybridization effects. The observation of alloying and size induced binding energy shifts in bimetallic nanoparticles is important from the point of view of hydrogen reactivity

  5. Band alignment of atomic layer deposited MgO/Zn{sub 0.8}Al{sub 0.2}O heterointerface determined by charge corrected X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Baojun, E-mail: yanbj@ihep.ac.cn [State Key Laboratory of Particle Detection and Electronics, Institute of High Energy Physics of Chinese Academy of Sciences, Beijing P. O. Box 100049 (China); Liu, Shulin [State Key Laboratory of Particle Detection and Electronics, Institute of High Energy Physics of Chinese Academy of Sciences, Beijing P. O. Box 100049 (China); Yang, Yuzhen [State Key Laboratory of Particle Detection and Electronics, Institute of High Energy Physics of Chinese Academy of Sciences, Beijing P. O. Box 100049 (China); Department of Physics, Nanjing University, Nanjing P. O. Box 210093 (China); Heng, Yuekun [State Key Laboratory of Particle Detection and Electronics, Institute of High Energy Physics of Chinese Academy of Sciences, Beijing P. O. Box 100049 (China)

    2016-05-15

    Highlights: • Band alignment of MgO/Zn{sub 0.8}Al{sub 0.2}O heterojunction were investigated systematically using charge corrected X-ray photoelectron spectroscopy. • Differential charging phenomenon is observed in determination VBOs of insulator/semiconductor heterojunction. • Valence and conduction band offsets have been determined to be 0.72 ± 0.11 eV and 3.26 ± 0.11 eV, respectively, with a type-II band line-up. - Abstract: Pure magnesium (MgO) and zinc oxide doped with aluminum oxide (Zn{sub 0.8}Al{sub 0.2}O) were prepared via atomic layer deposition. We have studied the structure and band gap of bulk Zn{sub 0.8}Al{sub 0.2}O material by X-ray diffractometer (XRD) and Tauc method, and the band offsets and alignment of atomic layer deposited MgO/Zn{sub 0.8}Al{sub 0.2}O heterointerface were investigated systematically using X-ray photoelectron spectroscopy (XPS) in this study. Different methodologies, such as neutralizing electron gun, the use of C 1s peak recalibration and zero charging method, were applied to recover the actual position of the core levels in insulator materials which were easily influenced by differential charging phenomena. Schematic band alignment diagram, valence band offset (ΔE{sub V}) and conduction band offset (ΔE{sub C}) for the interface of the MgO/Zn{sub 0.8}Al{sub 0.2}O heterostructure have been constructed. An accurate value of ΔE{sub V} = 0.72 ± 0.11 eV was obtained from various combinations of core levels of heterojunction with varied MgO thickness. Given the experimental band gaps of 7.83 eV for MgO and 5.29 eV for Zn{sub 0.8}Al{sub 0.2}O, a type-II heterojunction with a ΔE{sub C} of 3.26 ± 0.11 eV was found. Band offsets and alignment studies of these heterojunctions are important for gaining deep consideration to the design of various optoelectronic devices based on such heterointerface.

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

    Science.gov (United States)

    Zhang, Daoyu; Yang, Minnan; Dong, Shuai

    2015-11-21

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

  7. Measurement of the valence band-offset in a PbSe/ZnO heterojunction by x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Li Lin; Qiu Jijun; Weng Binbin; Yuan Zijian; Shi Zhisheng [School of Electrical and Computer Engineering, University of Oklahoma, Norman, Oklahoma 73019 (United States); Li Xiaomin; Gan Xiaoyan [State Key Laboratory of High Performance Ceramics and Superfine Microstructures, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Sellers, Ian R. [Deparment of Physics, University of Oklahoma, Norman, Oklahoma 73019 (United States)

    2012-12-24

    A heterojunction of PbSe/ZnO has been grown by molecular beam epitaxy. X-ray photoelectron spectroscopy was used to directly measure the valence-band offset (VBO) of the heterojunction. The VBO, {Delta}E{sub V}, was determined as 2.51 {+-} 0.05 eV using the Pb 4p{sup 3/2} and Zn 2p{sup 3/2} core levels as a reference. The conduction-band offset, {Delta}E{sub C}, was, therefore, determined to be 0.59 {+-} 0.05 eV based on the above {Delta}E{sub V} value. This analysis indicates that the PbSe/ZnO heterojunction forms a type I (Straddling Gap) heterostructure.

  8. Valence-band discontinuities of wurtzite GaN, AlN, and InN heterojunctions measured by x-ray photoemission spectroscopy

    International Nuclear Information System (INIS)

    Martin, G.; Botchkarev, A.; Rockett, A.; Morkoc, H.

    1996-01-01

    The valence-band discontinuities at various wurtzite GaN, AlN, and InN heterojunctions were measured by means of x-ray photoemission spectroscopy. A significant forward endash backward asymmetry was observed in the InN/GaN endash GaN/InN and InN/AlN endash AlN/InN heterojunctions. The asymmetry was understood as a piezoelectric strain effect. We report the valence band discontinuities for InN/GaN=1.05±0.25 eV, GaN/AlN=0.70±0.24 eV, and InN/AlN=1.81±0.20 eV, all in the standard type I lineup. These values obey transitivity to within the experimental accuracy. Tables of photoemission core level binding energies are reported for wurtzite GaN, AlN, and InN. copyright 1996 American Institute of Physics

  9. Evidence of Type-II Band Alignment in III-nitride Semiconductors: Experimental and theoretical investigation for In0.17Al0.83N/GaN heterostructures

    Science.gov (United States)

    Wang, Jiaming; Xu, Fujun; Zhang, Xia; An, Wei; Li, Xin-Zheng; Song, Jie; Ge, Weikun; Tian, Guangshan; Lu, Jing; Wang, Xinqiang; Tang, Ning; Yang, Zhijian; Li, Wei; Wang, Weiying; Jin, Peng; Chen, Yonghai; Shen, Bo

    2014-01-01

    Type-II band alignment structure is coveted in the design of photovoltaic devices and detectors, since it is beneficial for the transport of photogenerated carriers. Regrettably, for group-III-nitride wide bandgap semiconductors, all existing devices are limited to type-I heterostructures, owing to the unavailable of type-II ones. This seriously restricts the designing flexibility for optoelectronic devices and consequently the relevant performance of this material system. Here we show a brandnew type-II band alignment of the lattice-matched In0.17Al0.83N/GaN heterostructure from the perspective of both experimental observations and first-principle theoretical calculations. The band discontinuity is dominated by the conduction band offset ΔEC, with a small contribution from the valence band offset ΔEV which equals 0.1 eV (with being above). Our work may open up new prospects to realize high-performance III-Nitrides optoelectronic devices based on type-II energy band engineering. PMID:25283334

  10. Chemical state analysis of heat-treated 6, 13-bis(triisopropylsilylethynyl) pentacene investigated by XPS valence band spectra, XANES spectra and first-principles calculation

    International Nuclear Information System (INIS)

    Muro, Maiko; Natsume, Yutaka; Kikuma, Jun; Setoyama, Hiroyuki

    2014-01-01

    X-ray photoelectron spectroscopy (XPS) valence band spectra reflect the chemical bonding states. To take this advantage, we tried to interpret experimental spectra by the occupied density of states (DOS) based on first principles calculation. In this work, we discussed XPS and X-ray Absorption Near Edge Structure (XANES) spectra of 6, 13-bis(triisopropylsilylethynyl) pentacene (TIPS-Pen), which is well known as an organic semiconductor. We studied chemical structure change of TIPS-Pen caused by heat-treatment at 300degC under nitrogen and under the air. It has been suggested that the structural change of pentacene skeleton by Diels-Alder type reaction occurs in both cases. In addition, the sample heat-treated under the air showed desorption of the isopropyl group and increase of oxygen concentration. (author)

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

    Science.gov (United States)

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

    2017-05-01

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

  12. Dynamics of Impurity and Valence Bands in Ga1-xMnxAs Within the Dynamical Mean-Field Approximation

    International Nuclear Information System (INIS)

    Majidi, M.A.; Moreno, Juana; Jarrell, Mark; Fishman, Randy Scott; Aryanpour, K.A.

    2006-01-01

    We calculate the density-of-states and the spectral function of Ga 1-x Mn x As within the dynamical mean-field approximation. Our model includes the competing effects of the strong spin-orbit coupling on the J=3/2 GaAs hole bands and the exchange interaction between the magnetic ions and the itinerant holes. We study the quasiparticle and impurity bands in the paramagnetic and ferromagnetic phases for different values of impurity-hole coupling J c at a Mn doping of x=0.05. By analyzing the anisotropic angular distribution of the impurity band carriers at T=0, we conclude that the carrier polarization is optimal when the carriers move along the direction parallel to the average magnetization.

  13. Band Alignment in MoS2/WS2 Transition Metal Dichalcogenide Heterostructures Probed by Scanning Tunneling Microscopy and Spectroscopy.

    Science.gov (United States)

    Hill, Heather M; Rigosi, Albert F; Rim, Kwang Taeg; Flynn, George W; Heinz, Tony F

    2016-08-10

    Using scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS), we examine the electronic structure of transition metal dichalcogenide heterostructures (TMDCHs) composed of monolayers of MoS2 and WS2. STS data are obtained for heterostructures of varying stacking configuration as well as the individual monolayers. Analysis of the tunneling spectra includes the influence of finite sample temperature, yield information about the quasi-particle bandgaps, and the band alignment of MoS2 and WS2. We report the band gaps of MoS2 (2.16 ± 0.04 eV) and WS2 (2.38 ± 0.06 eV) in the materials as measured on the heterostructure regions and the general type II band alignment for the heterostructure, which shows an interfacial band gap of 1.45 ± 0.06 eV.

  14. Band alignments in Fe/graphene/Si(001) junctions studied by x-ray photoemission spectroscopy

    Science.gov (United States)

    Le Breton, J.-C.; Tricot, S.; Delhaye, G.; Lépine, B.; Turban, P.; Schieffer, P.

    2016-08-01

    The control of tunnel contact resistance is of primary importance for semiconductor-based spintronic devices. This control is hardly achieved with conventional oxide-based tunnel barriers due to deposition-induced interface states. Manipulation of single 2D atomic crystals (such as graphene sheets) weakly interacting with their substrate might represent an alternative and efficient way to design new heterostructures for a variety of different purposes including spin injection into semiconductors. In the present paper, we study by x-ray photoemission spectroscopy the band alignments and interface chemistry of iron-graphene-hydrogenated passivated silicon (001) surfaces for a low and a high n-doping concentration. We find that the hydrogen passivation of the Si(001) surface remains efficient even with a graphene sheet on the Si(001) surface. For both doping concentrations, the semiconductor is close to flat-band conditions which indicates that the Fermi level is unpinned on the semiconductor side of the Graphene/Si(001):H interface. When iron is deposited on the graphene/Si(001):H structures, the Schottky barrier height remains mainly unaffected by the metallic overlayer with a very low barrier height for electrons, a sought-after property in semiconductor based spintronic devices. Finally, we demonstrate that the graphene layer intercalated between the metal and semiconductor also serves as a protection against iron-silicide formation even at elevated temperatures preventing from the formation of a Si-based magnetic dead layer.

  15. Band alignments in Fe/graphene/Si(001) junctions studied by x-ray photoemission spectroscopy

    International Nuclear Information System (INIS)

    Le Breton, J.-C.; Tricot, S.; Delhaye, G.; Lépine, B.; Turban, P.; Schieffer, P.

    2016-01-01

    The control of tunnel contact resistance is of primary importance for semiconductor-based spintronic devices. This control is hardly achieved with conventional oxide-based tunnel barriers due to deposition-induced interface states. Manipulation of single 2D atomic crystals (such as graphene sheets) weakly interacting with their substrate might represent an alternative and efficient way to design new heterostructures for a variety of different purposes including spin injection into semiconductors. In the present paper, we study by x-ray photoemission spectroscopy the band alignments and interface chemistry of iron–graphene-hydrogenated passivated silicon (001) surfaces for a low and a high n-doping concentration. We find that the hydrogen passivation of the Si(001) surface remains efficient even with a graphene sheet on the Si(001) surface. For both doping concentrations, the semiconductor is close to flat-band conditions which indicates that the Fermi level is unpinned on the semiconductor side of the Graphene/Si(001):H interface. When iron is deposited on the graphene/Si(001):H structures, the Schottky barrier height remains mainly unaffected by the metallic overlayer with a very low barrier height for electrons, a sought-after property in semiconductor based spintronic devices. Finally, we demonstrate that the graphene layer intercalated between the metal and semiconductor also serves as a protection against iron-silicide formation even at elevated temperatures preventing from the formation of a Si-based magnetic dead layer.

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

    Science.gov (United States)

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

    2015-09-09

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

  17. Enhancing Thermoelectric Performances of Bismuth Antimony Telluride via Synergistic Combination of Multiscale Structuring and Band Alignment by FeTe2 Incorporation.

    Science.gov (United States)

    Shin, Weon Ho; Roh, Jong Wook; Ryu, Byungki; Chang, Hye Jung; Kim, Hyun Sik; Lee, Soonil; Seo, Won Seon; Ahn, Kyunghan

    2018-01-31

    It has been a difficulty to form well-distributed nano- and mesosized inclusions in a Bi 2 Te 3 -based matrix and thereby realizing no degradation of carrier mobility at interfaces between matrix and inclusions for high thermoelectric performances. Herein, we successfully synthesize multistructured thermoelectric Bi 0.4 Sb 1.6 Te 3 materials with Fe-rich nanoprecipitates and sub-micron FeTe 2 inclusions by a conventional solid-state reaction followed by melt-spinning and spark plasma sintering that could be a facile preparation method for scale-up production. This study presents a bismuth antimony telluride based thermoelectric material with a multiscale structure whose lattice thermal conductivity is drastically reduced with minimal degradation on its carrier mobility. This is possible because a carefully chosen FeTe 2 incorporated in the matrix allows its interfacial valence band with the matrix to be aligned, leading to a significantly improved p-type thermoelectric power factor. Consequently, an impressively high thermoelectric figure of merit ZT of 1.52 is achieved at 396 K for p-type Bi 0.4 Sb 1.6 Te 3 -8 mol % FeTe 2 , which is a 43% enhancement in ZT compared to the pristine Bi 0.4 Sb 1.6 Te 3 . This work demonstrates not only the effectiveness of multiscale structuring for lowering lattice thermal conductivities, but also the importance of interfacial band alignment between matrix and inclusions for maintaining high carrier mobilities when designing high-performance thermoelectric materials.

  18. Band alignment of HfO{sub 2}/multilayer MoS{sub 2} interface determined by x-ray photoelectron spectroscopy: Effect of CHF{sub 3} treatment

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xinke; He, Jiazhu; Tang, Dan; Jia, Fang; Lu, Youming, E-mail: ymlu@szu.edu.cn; Zhu, Deliang; Liu, Wenjun; Cao, Peijiang; Han, Sun [College of Materials Science and Engineering, Shenzhen Engineering Laboratory for Advanced Technology of Ceramics, Nanshan District Key Lab for Biopolymer and Safety Evaluation, Shenzhen University, 3688 Nanhai Ave, Shenzhen 518060 (China); Liu, Qiang; Wen, Jiao; Yu, Wenjie, E-mail: casan@mail.sim.ac.cn [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, CAS,865 Chang Ning Road, Shanghai 200050 (China); Pan, Jisheng [Institute of Materials Research and Engineering, Agency for Science Technology and Research, Singapore 117602 (Singapore); He, Zhubing [Department of Materials Science and Engineering, South University of Science and Technology of China, 1088 Xueyuan Road, Shenzhen 518055 (China); Ang, Kah-Wee [Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, Singapore 117583 (Singapore)

    2015-09-07

    The energy band alignment between HfO{sub 2}/multilayer (ML)-MoS{sub 2} was characterized using high-resolution x-ray photoelectron spectroscopy. The HfO{sub 2} was deposited using an atomic layer deposition tool, and ML-MoS{sub 2} was grown by chemical vapor deposition. A valence band offset (VBO) of 1.98 eV and a conduction band offset (CBO) of 2.72 eV were obtained for the HfO{sub 2}/ML-MoS{sub 2} interface without any treatment. With CHF{sub 3} plasma treatment, a VBO and a CBO across the HfO{sub 2}/ML-MoS{sub 2} interface were found to be 2.47 eV and 2.23 eV, respectively. The band alignment difference is believed to be dominated by the down-shift in the core level of Hf 4d and up-shift in the core level of Mo 3d, or the interface dipoles, which caused by the interfacial layer in rich of F.

  19. Emergent properties resulting from type-II band alignment in semiconductor nanoheterostructures.

    Science.gov (United States)

    Lo, Shun S; Mirkovic, Tihana; Chuang, Chi-Hung; Burda, Clemens; Scholes, Gregory D

    2011-01-11

    The development of elegant synthetic methodologies for the preparation of monocomponent nanocrystalline particles has opened many possibilities for the preparation of heterostructured semiconductor nanostructures. Each of the integrated nanodomains is characterized by its individual physical properties, surface chemistry, and morphology, yet, these multicomponent hybrid particles present ideal systems for the investigation of the synergetic properties that arise from the material combination in a non-additive fashion. Of particular interest are type-II heterostructures, where the relative band alignment of their constituent semiconductor materials promotes a spatial separation of the electron and hole following photoexcitation, a highly desirable property for photovoltaic applications. This article highlights recent progress in both synthetic strategies, which allow for material and architectural modulation of novel nanoheterostructures, as well as the experimental work that provides insight into the photophysical properties of type-II heterostructures. The effects of external factors, such as electric fields, temperature, and solvent are explored in conjunction with exciton and multiexciton dynamics and charge transfer processes typical for type-II semiconductor heterostructures.

  20. Wurtzite/zinc-blende electronic-band alignment in basal-plane stacking faults in semi-polar GaN

    Science.gov (United States)

    Monavarian, Morteza; Hafiz, Shopan; Izyumskaya, Natalia; Das, Saikat; Özgür, Ümit; Morkoç, Hadis; Avrutin, Vitaliy

    2016-02-01

    Heteroepitaxial semipolar and nonpolar GaN layers often suffer from high densities of extended defects including basal plane stacking faults (BSFs). BSFs which are considered as inclusions of cubic zinc-blende phase in wurtzite matrix act as quantum wells strongly affecting device performance. Band alignment in BSFs has been discussed as type of band alignment at the wurtzite/zinc blende interface governs the response in differential transmission; fast decay after the pulse followed by slow recovery due to spatial splitting of electrons and heavy holes for type- II band alignment in contrast to decay with no recovery in case of type I band alignment. Based on the results, band alignment is demonstrated to be of type II in zinc-blende segments in wurtzite matrix as in BSFs.

  1. Thickness-dependent change in the valence band offset of the SiO{sub 2}/Si interface studied using synchrotron-radiation photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Toyoda, S., E-mail: toyoda.satoshi.4w@kyoto-u.ac.jp; Oshima, M. [Department of Applied Chemistry, The University of Tokyo, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2016-08-28

    We have studied the thickness-dependent change in the valence band offset (VBO) of the SiO{sub 2}/Si(001) interface using synchrotron-radiation photoemission spectroscopy with soft and hard X-rays. The SiO{sub 2}-film thickness (T{sub ox}) and X-ray irradiation time (t{sub irrad}) were systematically parameterized to distinguish between the “intrinsic” T{sub ox} effects in the VBOs and the “extrinsic” differential charging phenomena in SiO{sub 2} films on Si substrates. The results revealed that at a spontaneous time (t{sub irrad} ≈ 5 s) that suppresses the differential charging phenomena as much as possible, the experimental VBO abruptly increases as a function of T{sub ox} and gradually saturates to the traditional VBO value range determined by the internal photoemission and photoconduction measurements. This effect is not attributed to the differential charging phenomena, but rather it is attributed to the “intrinsic” T{sub ox}-dependent change in the VBO. The two possible physical behaviors include electronic polarization and image charge. We have derived the electronic polarization contribution from experimental data by carefully describing the effects of the long-range image charges based on the classical dielectric-screening model.

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

    International Nuclear Information System (INIS)

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

    1996-01-01

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

  3. Electronic structure of indium-tungsten-oxide alloys and their energy band alignment at the heterojunction to crystalline silicon

    Science.gov (United States)

    Menzel, Dorothee; Mews, Mathias; Rech, Bernd; Korte, Lars

    2018-01-01

    The electronic structure of thermally co-evaporated indium-tungsten-oxide films is investigated. The stoichiometry is varied from pure tungsten oxide to pure indium oxide, and the band alignment at the indium-tungsten-oxide/crystalline silicon heterointerface is monitored. Using in-system photoelectron spectroscopy, optical spectroscopy, and surface photovoltage measurements, we show that the work function of indium-tungsten-oxide continuously decreases from 6.3 eV for tungsten oxide to 4.3 eV for indium oxide, with a concomitant decrease in the band bending at the hetero interface to crystalline silicon than indium oxide.

  4. Interfacial chemistry and energy band alignment of TiAlO on 4H-SiC determined by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Wang, Qian; Cheng, Xinhong; Zheng, Li; Ye, Peiyi; Li, Menglu; Shen, Lingyan; Li, Jingjie; Zhang, Dongliang; Gu, Ziyue; Yu, Yuehui

    2017-01-01

    Highlights: • Composite TiAlO rather than TiO_2-Al_2O_3 laminations is deposited on 4H-SiC by PEALD. • An interfacial layer composed of Ti, Si, O and C forms between TiAlO and 4H-SiC. • TiAlO offers competitive barrier heights (>1 eV) for both electrons and holes. - Abstract: Intermixing of TiO_2 with Al_2O_3 to form TiAlO films on 4H-SiC is expected to simultaneously boost the dielectric constant and achieve sufficient conduction/valence band offsets (CBO/VBO) between dielectrics and 4H-SiC. In this work, a composite TiAlO film rather than TiO_2-Al_2O_3 laminations is deposited on 4H-SiC by plasma enhanced atomic layer deposition (PEALD). X-ray photoelectron spectroscopy (XPS) is performed to systematically analyze the interfacial chemistry and energy band alignment between TiAlO and 4H-SiC. An interfacial layer composed of Ti, Si, O and C forms between TiAlO and 4H-SiC during PEALD process. The VBO and CBO between TiAlO and 4H-SiC are determined to be 1.45 eV and 1.10 eV, respectively, which offer competitive barrier heights (>1 eV) for both electrons and holes and make it suitable for the fabrication of 4H-SiC metal-oxide-semiconductor field effect transistors (MOSFETs).

  5. Interfacial chemistry and energy band alignment of TiAlO on 4H-SiC determined by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qian [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Cheng, Xinhong, E-mail: xh_cheng@mail.sim.ac.cn [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China); Zheng, Li, E-mail: zhengli@mail.sim.ac.cn [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Ye, Peiyi; Li, Menglu [Department of Materials Science and Engineering, University of California, Los Angeles, CA, 90095 (United States); Shen, Lingyan; Li, Jingjie; Zhang, Dongliang; Gu, Ziyue [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Yu, Yuehui [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China)

    2017-07-01

    Highlights: • Composite TiAlO rather than TiO{sub 2}-Al{sub 2}O{sub 3} laminations is deposited on 4H-SiC by PEALD. • An interfacial layer composed of Ti, Si, O and C forms between TiAlO and 4H-SiC. • TiAlO offers competitive barrier heights (>1 eV) for both electrons and holes. - Abstract: Intermixing of TiO{sub 2} with Al{sub 2}O{sub 3} to form TiAlO films on 4H-SiC is expected to simultaneously boost the dielectric constant and achieve sufficient conduction/valence band offsets (CBO/VBO) between dielectrics and 4H-SiC. In this work, a composite TiAlO film rather than TiO{sub 2}-Al{sub 2}O{sub 3} laminations is deposited on 4H-SiC by plasma enhanced atomic layer deposition (PEALD). X-ray photoelectron spectroscopy (XPS) is performed to systematically analyze the interfacial chemistry and energy band alignment between TiAlO and 4H-SiC. An interfacial layer composed of Ti, Si, O and C forms between TiAlO and 4H-SiC during PEALD process. The VBO and CBO between TiAlO and 4H-SiC are determined to be 1.45 eV and 1.10 eV, respectively, which offer competitive barrier heights (>1 eV) for both electrons and holes and make it suitable for the fabrication of 4H-SiC metal-oxide-semiconductor field effect transistors (MOSFETs).

  6. Band Alignments, Valence Bands, and Core Levels in the Tin Sulfides SnS, SnS2, and Sn2S3: Experiment and Theory

    OpenAIRE

    Whittles, TJ; Burton, LA; Skelton, JM; Walsh, A; Veal, TD; Dhanak, VR

    2016-01-01

    Tin sulfide solar cells show relatively poor efficiencies despite attractive photovoltaic properties, and there is difficulty in identifying separate phases, which are also known to form during Cu2ZnSnS4 depositions. We present X-ray photoemission spectroscopy (XPS) and inverse photoemission spectroscopy measurements of single crystal SnS, SnS2, and Sn2S3, with electronic-structure calculations from density functional theory (DFT). Differences in the XPS spectra of the three phases, including...

  7. Type II band alignment in Ge1-x-ySixSny/Ge1-α-βSiαSnβ heterojunctions

    Science.gov (United States)

    Dey, Swagata; Mukhopadhyay, Bratati; Sen, Gopa; Basu, P. K.

    2018-02-01

    We have examined type II band alignment in Ge1-x-ySixSny/Ge1-α-βSiαSβ heterojunctions grown on virtual substrates in Si platform. It is found that, for different values of x, y, α and β, direct band gap type II band line up can be achieved for both tensile and compressive strains. The calculated band gap energy corresponds to the mid infrared to far infrared regions in the electromagnetic spectrum.

  8. Band alignments and improved leakage properties of (La2O3)0.5(SiO2)0.5/SiO2/GaN stacks for high-temperature metal-oxide-semiconductor field-effect transistor applications

    Science.gov (United States)

    Gao, L. G.; Xu, B.; Guo, H. X.; Xia, Y. D.; Yin, J.; Liu, Z. G.

    2009-06-01

    The band alignments of (La2O3)0.5(SiO2)0.5(LSO)/GaN and LSO/SiO2/GaN gate dielectric stacks were investigated comparatively by using x-ray photoelectron spectroscopy. The valence band offsets for LSO/GaN stack and LSO/SiO2/GaN stack are 0.88 and 1.69 eV, respectively, while the corresponding conduction band offsets are found to be 1.40 and 1.83 eV, respectively. Measurements of the leakage current density as function of temperature revealed that the LSO/SiO2/GaN stack has much lower leakage current density than that of the LSO/GaN stack, especially at high temperature. It is concluded that the presence of a SiO2 buffer layer increases band offsets and reduces the leakage current density effectively.

  9. Features of the core-valence luminescence and electron energy band structure of A1-xCsxCaCl3 (A = K,Rb) crystals

    International Nuclear Information System (INIS)

    Chornodolskyy, Ya; Stryganyuk, G; Syrotyuk, S; Voloshinovskii, A; Rodnyi, P

    2007-01-01

    From luminescence spectroscopy of CsCaCl 3 , Rb 1-x Cs x CaCl 3 and K 1-x Cs x CaCl 3 crystals, we have found evidence for intrinsic and impurity core-valence luminescence due to the radiative recombination of valence electrons with the holes of intrinsic or impurity 5p Cs + core states. The structural similarity of core-valence luminescence spectra has been revealed for the A 1-x Cs x CaCl 3 (A = K,Rb) crystals investigated. The electron energy structure of the CsCaCl 3 crystal has been calculated using the pseudopotential approach taking into account the gradient corrections for the exchange-correlation energy. The calculated density of the electronic states of CsCaCl 3 has been compared with corresponding parameters obtained from the analysis of core-valence luminescence spectra

  10. Band splitting and relative spin alignment in two-layer systems

    CERN Document Server

    Ovchinnikov, A A

    2002-01-01

    It is shown that the single-particle spectra of the low Hubbard zone in the two-layer correlated 2D-systems sharply differ in the case of different relative alignment of the layers spin systems. The behavior of the two-layer splitting in the Bi sub 2 Sr sub 2 CaCu sub 2 O sub 8 sub + subdelta gives all reasons for the hypothesis on the possible rearrangement of the F sub z -> AF sub z alignment configuration, occurring simultaneously with the superconducting transition. The effects of the spin alignment on the magnetic excitations spectrum, as the way for studying the spin structure of the two-layer systems, are discussed by the example of homogenous solutions for the effective spin models

  11. Effect of temperature on the valency bands of HDO in water in the liquid and solid states. Effects on the analysis of heavy water using infra-red absorption; Effet de temperature sur les bandes de valence de HDO dans l'eau a l'etat liquide et a l'etat solide - consequences pour l'analyse de l'eau lourde par absorption infra-rouge

    Energy Technology Data Exchange (ETDEWEB)

    Ceccaldi, M [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1964-07-01

    After, a description of the technique used, a qualitative examination is made of the influence of the temperature on the {nu}{sub OH}(3,400 cm{sup -1}) and {nu}{sub OD} (2,500 cm{sup -1}) valence bands of HDO in the liquid state and then during the passage to the solid state. Quantitative examination with two cells of different thickness makes it possible to define the influence of temperature on the residual absorption of the pure liquid (D{sub 2}O or H{sub 2}O and on the valency bands ({nu}{sub OH} and {nu}{sub OD} respectively). It is found that a similar change occurs in the two bands but that the changes in the background are very different. During the passage from the liquid to the solid state the shape of the bands varies considerably but little change occurs in the total intensity. It has been possible to express these results in a simple form which is directly applicable to analytical problems. (authors) [French] Apres un rappel de la technique utilisee, on examine qualitativement l'influence de la temperature sur les bandes de valence {nu}{sub OH} (3400 cm{sup -1}) et {nu}{sub OD} (2500 cm{sup -1}) de HDO a l'etat liquide puis le passage a l'etat solide. L'examen quantitatif, avec deux cuves d'epaisseurs differentes, permet de preciser l'influence de la temperature sur l'absorption residuelle du liquide pur (D{sub 2}O ou H{sub 2}O) et sur les bandes de valence ( {nu}{sub OH} et {nu}{sub OD} respectivement). On constate une evolution parallele de ces bandes mais un comportement tres different du fond continu. Lors du passage de l'etat liquide a l'etat solide, la forme des bandes varie considerablement mais non l'intensite totale. On a pu formuler ces resultats sous une forme simple applicable directement aux problemes analytiques. (auteurs)

  12. Band alignment in visible-light photo-active CoO/SrTiO{sub 3} (001) heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Seo, Hosung; Demkov, Alexander A., E-mail: demkov@physics.utexas.edu [Department of Physics, The University of Texas at Austin, Austin, Texas 78712 (United States)

    2014-12-28

    Epitaxial oxide heterostructures are of fundamental interest in a number of problems ranging from oxide electronics to model catalysts. The epitaxial CoO/SrTiO{sub 3} (001) heterostructure on Si(001) has been recently studied as a model oxide catalyst for water splitting under visible light irradiation (Ngo et al., J. Appl. Phys. 114, 084901 (2013)). We use density functional theory to investigate the valence band offset at the CoO/SrTiO{sub 3} (001) interface. We examine the mechanism of charge transfer and dielectric screening at the interface and demonstrate that charge transfer is mediated by the metal-induced gap states in SrTiO{sub 3}, while the dielectric screening at the interface is largely governed by the ionic polarization of under-coordinated oxygen. Based on this finding, we argue that strain relaxation in CoO plays a critical role in determining the band offset. We find that the offsets of 1.36–1.10 eV, calculated in the Schottky-limit are in excellent agreement with the experimental value of 1.20 eV. In addition, we investigate the effect of the Hubbard correction, applied on the Co 3d states, on the dipole layer and potential shift at the interface.

  13. Intermixing, band alignment and charge transport in AgIn5S8/CuI heterojunctions

    International Nuclear Information System (INIS)

    Konovalov, I.; Makhova, L.; Hesse, R.; Szargan, R.

    2005-01-01

    Possibilities of creating photovoltaic devices using CuI/AgIn 5 S 8 heterojunctions are considered. Among other properties, preferential formation of polar (111) surfaces makes n-type AgIn 5 S 8 an attractive candidate for absorber layers of top cells in 4-terminal tandem structures. Cu-Ag exchange at the interface with p-type CuI was observed. This intermixing results in an additional component of Ag 3d5 photoelectron line after deposition of CuI, in the Cu (but not I) contamination of the surface after a chemical removal of CuI, and in a photoelectric sensitivity of the junction at energies below the band gaps. Valence band offsets of 0.4 and 0.5 eV (cliff) were found at interfaces with thin film and bulk AgIn 5 S 8 , supporting a conduction mechanism through interface recombination. Pinning conflict at the interface between materials with contradictory doping limitations is likely to promote the intermixing

  14. Valence and conduction band offsets at low-k a-SiO{sub x}C{sub y}:H/a-SiC{sub x}N{sub y}:H interfaces

    Energy Technology Data Exchange (ETDEWEB)

    King, Sean W., E-mail: sean.king@intel.com; Brockman, Justin; French, Marc; Jaehnig, Milt; Kuhn, Markus [Logic Technology Development, Intel Corporation, Hillsboro, Oregon 97124 (United States); French, Benjamin [Ocotillo Materials Laboratory, Intel Corporation, Chandler, Arizona 85248 (United States)

    2014-09-21

    In order to understand the fundamental electrical leakage and reliability failure mechanisms in nano-electronic low-k dielectric/metal interconnect structures, we have utilized x-ray photoelectron spectroscopy and reflection electron energy loss spectroscopy to determine the valence and conduction band offsets present at interfaces between non-porous and porous low-k a-SiO{sub x}C{sub y}:H interlayer dielectrics and a-SiC{sub x}N{sub y}:H metal capping layers. The valence band offset for such interfaces was determined to be 2.7±0.2 eV and weakly dependent on the a-SiOC:H porosity. The corresponding conduction band offset was determined to be 2.1±0.2 eV. The large band offsets indicate that intra metal layer leakage is likely dominated by defects and trap states in the a-SiOC:H and a-SiCN:H dielectrics.

  15. Auger recombination suppression and band alignment in GaAsBi/GaAs heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Hild, K.; Batool, Z.; Jin, S. R.; Hossain, N.; Marko, I. P.; Sweeney, S. J. [Advanced Technology Institute and Department of Physics, University of Surrey, Guildford, GU2 7XH (United Kingdom); Hosea, T. JC. [1 Advanced Technology Institute and Department of Physics, University of Surrey, Guildford, GU2 7XH, UK and also, Ibnu Sina Institute, Universiti Teknologi Malaysia, Johor Bahru, 81310 (Malaysia); Lu, X. [Department of Electrical and Computer Engineering, University of Victoria, Victoria BC, V8W 3P6, Canada and now VarianSemiconductor Equipment Associates, Gloucester, MA 01930 (United States); Tiedje, T. [Department of Electrical and Computer Engineering, University of Victoria, Victoria BC, V8W 3P6 (Canada)

    2013-12-04

    Using a combination of experimental and theoretical techniques we present the dependence of the bandgap E{sub g} and the spin orbit splitting energy Δ{sub so}, with Bi concentration in GaAsBi/GaAs samples. We find that the concentration at which Δ{sub so},> E{sub g} occurs at 9%. Both spectroscopic as well as first device results indicate a type I alignment.

  16. Semiconductor band alignment from first principles: a new nonequilibrium Green's function method applied to the CZTSe/CdS interface for photovoltaics

    DEFF Research Database (Denmark)

    Palsgaard, Mattias Lau Nøhr; Crovetto, Andrea; Gunst, Tue

    2016-01-01

    In this paper we present a method to obtain the band offset of semiconductor heterointerfaces from Density Functional Theory together with the nonequilibrium Green's function method. Band alignment and detailed properties of the interface between Cu2ZnSnSe4 and CdS are extracted directly from first...... principles simulations. The interface is important for photovoltaics applications where in particular the band offsets are important for efficiency. The band bending pose a problem for accurate atomistic simulations of band offsets due to its long range. Here we investigate two different methods for dealing...... with band bending directly. One involves doping the materials to induce a shorter screening length. The other method is to apply a voltage bias across the interface to correct for the band bending. The calculated band offsets agree well with previous experimental and theoretical studies and, interestingly...

  17. The Strategy to Align Road Safety Education to the Further Education and Training Band Curriculum

    Science.gov (United States)

    Malan, Lianne; van Dijk, Gerda; Fourie, David

    2016-01-01

    Road safety education is a complex phenomenon which should be viewed holistically if taken into account the interconnectedness of education, infrastructure and enforcement. Effective road safety education is specifically important for learners in the Further Education and Training (FET) band, as they are active contributors to a community. The…

  18. Deduction of the chemical state and the electronic structure of Nd{sub 2}Fe{sub 14}B compound from X-ray photoelectron spectroscopy core-level and valence-band spectra

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jing; Liang, Le [School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Zhang, Lanting, E-mail: lantingzh@sjtu.edu.cn, E-mail: lmsun@sjtu.edu.cn [School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Hirano Institute for Materials Innovation, Shanghai Jiao Tong University, Shanghai 200240 (China); Sun, Limin, E-mail: lantingzh@sjtu.edu.cn, E-mail: lmsun@sjtu.edu.cn [Instrumental Analysis Center, Shanghai Jiao Tong University, Shanghai 200240 (China); Hirano, Shinichi [Hirano Institute for Materials Innovation, Shanghai Jiao Tong University, Shanghai 200240 (China)

    2014-10-28

    Characterization of chemical state and electronic structure of the technologically important Nd{sub 2}Fe{sub 14}B compound is attractive for understanding the physical nature of its excellent magnetic properties. X-ray photoelectron spectroscopy (XPS) study of such rare-earth compound is important and also challenging due to the easy oxidation of surface and small photoelectron cross-sections of rare-earth 4f electrons and B 2p electrons, etc. Here, we reported an investigation based on XPS spectra of Nd{sub 2}Fe{sub 14}B compound as a function of Ar ion sputtering time. The chemical state of Fe and that of B in Nd{sub 2}Fe{sub 14}B compound can be clearly determined to be 0 and −3, respectively. The Nd in Nd{sub 2}Fe{sub 14}B compound is found to have the chemical state of close to +3 instead of +3 as compared with the Nd in Nd{sub 2}O{sub 3}. In addition, by comparing the valence-band spectrum of Nd{sub 2}Fe{sub 14}B compound to that of the pure Fe, the contributions from Nd, Fe, and B to the valence-band structure of Nd{sub 2}Fe{sub 14}B compound is made more clear. The B 2p states and B 2s states are identified to be at ∼11.2 eV and ∼24.6 eV, respectively, which is reported for the first time. The contribution from Nd 4f states can be identified both in XPS core-level spectrum and XPS valence-band spectrum. Although Nd 4f states partially hybridize with Fe 3d states, Nd 4f states are mainly localized in Nd{sub 2}Fe{sub 14}B compound.

  19. Band alignment in ZnSe/Zn1-x-yCdxMnySe quantum-well structures

    International Nuclear Information System (INIS)

    Yu, W.Y.; Salib, M.S.; Petrou, A.; Jonker, B.T.; Warnock, J.

    1997-01-01

    We present a magneto-optical study of ZnSe/Zn 1-x-y Cd x Mn y Se quantum-well structures in which a suitable choice of the Cd composition leads to a system that is type I at zero magnetic field. When a magnetic field is applied perpendicular to the layers of the structure, the band edges split in such a way as to make the upper σ - (1/2, t 3/2) exciton transition type II, while the ground state σ + (-1/2, -3/2) exciton component remains type I at all field values. This alignment reduces the probability for carrier relaxation from the higher-energy exciton component and opens the possibility of hole-spin population inversion via optical pumping. copyright 1997 The American Physical Society

  20. Interfacial, Electrical, and Band Alignment Characteristics of HfO2/Ge Stacks with In Situ-Formed SiO2 Interlayer by Plasma-Enhanced Atomic Layer Deposition

    Science.gov (United States)

    Cao, Yan-Qiang; Wu, Bing; Wu, Di; Li, Ai-Dong

    2017-05-01

    In situ-formed SiO2 was introduced into HfO2 gate dielectrics on Ge substrate as interlayer by plasma-enhanced atomic layer deposition (PEALD). The interfacial, electrical, and band alignment characteristics of the HfO2/SiO2 high-k gate dielectric stacks on Ge have been well investigated. It has been demonstrated that Si-O-Ge interlayer is formed on Ge surface during the in situ PEALD SiO2 deposition process. This interlayer shows fantastic thermal stability during annealing without obvious Hf-silicates formation. In addition, it can also suppress the GeO2 degradation. The electrical measurements show that capacitance equivalent thickness of 1.53 nm and a leakage current density of 2.1 × 10-3 A/cm2 at gate bias of Vfb + 1 V was obtained for the annealed sample. The conduction (valence) band offsets at the HfO2/SiO2/Ge interface with and without PDA are found to be 2.24 (2.69) and 2.48 (2.45) eV, respectively. These results indicate that in situ PEALD SiO2 may be a promising interfacial control layer for the realization of high-quality Ge-based transistor devices. Moreover, it can be demonstrated that PEALD is a much more powerful technology for ultrathin interfacial control layer deposition than MOCVD.

  1. Compressive failure model for fiber composites by kink band initiation from obliquely aligned, shear-dislocated fiber breaks

    Energy Technology Data Exchange (ETDEWEB)

    Bai, J.; Phoenix, S.L. [Cornell University, Ithaca, NY (United States). Dept. of Theoretical and Applied Mechanics

    2005-04-01

    Predicting compressive failure of a unidirectional fibrous composite is a longstanding and challenging problem that we study from a new perspective. Motivated by previous modelling of tensile failure as well as experimental observations on compressive failures in single carbon fibers, we develop a new micromechanical model for the compressive failure process in unidirectional, planar composites. As the compressive load is increased, random fiber failures are assumed to occur due to statistically distributed flaws, analogous to what occurs in tension. These breaks are often shear-mode failures with slanted surfaces that induce shear dislocations, especially when they occur in small groups aligned obliquely. Our model includes interactions of dislocated and neighboring intact fibers through a system of fourth-order, differential equations governing transverse deformation, and also allows for local matrix plastic yielding and debonding from the fiber near and within the dislocation arrays. Using the Discrete Fourier Transform method, we find a 'building-block' analytical solution form, which naturally embodies local length scales of fiber microbuckling and instability. Based on the influence function, superposition approach, a computationally efficient scheme is developed to model the evolution of fiber and matrix stresses. Under increasing compressive strain the simulations show that matrix yielding and debonding crucially lead to large increases in bending strains in fibers next to small groups of obliquely aligned, dislocated breaks. From the paired locations of maximum fiber bending in flanking fibers, the triggering of an unstable kink band becomes realistic. The geometric features of the kink band, such as the fragment lengths and orientation angles, will depend on the fiber and matrix mechanical and geometric properties. In carbon fiber-polymer matrix systems our model predicts a much lower compressive failure stress than obtained from Rosen

  2. Construction of theoretical F-spread ionogams from scattering in the HF band from field-aligned irregularities

    International Nuclear Information System (INIS)

    Powers, W.J.

    1985-01-01

    The scattering and propagation of electromagnetic fields in the ionosphere for the HF band is considered. Particular attention is given to scattering at the geomagnetic equator from irregularities of ionization density that are aligned along the earth's magnetic field and that have lengths that are much greater than a Fresnel scale. Perpendicular to the earth's magnetic field the irregularities are assumed to be isotropic with scale lengths (wavelengths /(2π)) extending from an inner scale equal to the ionic gyroradius to an outer scale on the order of the scale height of the ionosphere. Primary emphasis is placed on the weak scattering of pulses from field-aligned irregularities embedded in the night time F-layer, with application to explaining F-spread ionograms. The average ionization density of the night time F-layer is assumed to be well modeled by a parabolic layer. Assuming that the effects of the earth's magnetic field and collisions can be neglected, an approximate dyadic Green's function is derived and utilized in the determination of the incident and singly scattered fields

  3. The observation of valence band change on resistive switching of epitaxial Pr{sub 0.7}Ca{sub 0.3}MnO{sub 3} film using removable liquid electrode

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hong-Sub; Park, Hyung-Ho, E-mail: hhpark@yonsei.ac.kr [Department of Materials Science and Engineering, Yonsei University, Seodaemun-Ku, Seoul 120-749 (Korea, Republic of)

    2015-12-07

    The resistive switching (RS) phenomenon in transition metal oxides (TMOs) has received a great deal of attention for non-volatile memory applications. Various RS mechanisms have been suggested as to explain the observed RS characteristics. Many reports suggest that changes of interface and the role of oxygen vacancies originate in RS phenomena; therefore, in this study, we use a liquid drop of mercury as the top electrode (TE), epitaxial Pr{sub 0.7}Ca{sub 0.3}MnO{sub 3} (PCMO) (110) film of the perovskite manganite family for RS material, and an Nb-doped (0.7 at. %) SrTiO{sub 3} (100) single crystal as the substrate to observe changes in the interface between the TE and TMOs. The use of removable liquid electrode Hg drop as TE not only enables observation of the RS characteristic as a bipolar RS curve (counterclockwise) but also facilitates analysis of the valence band of the PCMO surface after resistive switching via photoelectron spectroscopy. The observed I-V behaviors of the low and high resistance states (HRS) are explained with an electrochemical migration model in PCMO film where accumulated oxygen vacancies at the interface between the Hg TE and PCMO (110) surface induce the HRS. The interpreted RS mechanism is directly confirmed via valence band spectrum analysis.

  4. Trends on band alignments: Validity of Anderson's rule in SnS2- and SnSe2-based van der Waals heterostructures

    Science.gov (United States)

    Koda, Daniel S.; Bechstedt, Friedhelm; Marques, Marcelo; Teles, Lara K.

    2018-04-01

    Van der Waals (vdW) heterostructures are promising candidates for building blocks in novel electronic and optoelectronic devices with tailored properties, since their electronic action is dominated by the band alignments upon their contact. In this work, we analyze 10 vdW heterobilayers based on tin dichalcogenides by first-principles calculations. Structural studies show that all systems are stable, and that commensurability leads to smaller interlayer distances. Using hybrid functional calculations, we derive electronic properties and band alignments for all the heterosystems and isolated two-dimensional (2D) crystals. Natural band offsets are derived from calculated electron affinities and ionization energies of 11 freestanding 2D crystals. They are compared with band alignments in true heterojunctions, using a quantum mechanical criterion, and available experimental data. For the hBN/SnSe 2 system, we show that hBN suffers an increase in band gap, while leaving almost unchanged the electronic properties of SnSe2. Similarly, MX2 (M = Mo, W; X = S, Se) over SnX2 preserve the natural discontinuities from each side of the heterobilayer. Significant charge transfer occurs in junctions with graphene, which becomes p-doped and forms an Ohmic contact with SnX2. Zirconium and hafnium dichalcogenides display stronger interlayer interactions, leading to larger shifts in band alignments with tin dichalcogenides. Significant orbital overlap is found, which creates zero conduction band offset systems. The validity of the Anderson electron affinity rule is discussed. Failures of this model are traced back to interlayer interaction, band hybridization, and quantum dipoles. The systematic work sheds light on interfacial engineering for future vdW electronic and optoelectronic devices.

  5. 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

  6. Type-I band alignment at MoS2/In0.15Al0.85N lattice matched heterojunction and realization of MoS2 quantum well

    KAUST Repository

    Tangi, Malleswarara

    2017-08-31

    The valence and conduction band offsets (VBO and CBO) at the semiconductor heterojunction are crucial parameters to design the active region of contemporary electronic and optoelectronic devices. In this report, to study the band alignment parameters at the In0.15Al0.85N/MoS2 lattice matched heterointerface, large area MoS2 single layers are chemical vapor deposited on molecular beam epitaxial grown In0.15Al0.85N films and vice versa. We grew InAlN having an in-plane lattice parameter closely matching with that of MoS2. We confirm that the grown MoS2 is a single layer from optical and structural analyses using micro-Raman spectroscopy and scanning transmission electron microscopy. The band offset parameters VBO and CBO at the In0.15Al0.85N/MoS2 heterojunction are determined to be 2.08 ± 0.15 and 0.60 ± 0.15 eV, respectively, with type-I band alignment using high-resolution x-ray photoelectron spectroscopy in conjunction with ultraviolet photoelectron spectroscopy. Furthermore, we design a MoS2 quantum well structure by growing an In0.15Al0.85N layer on MoS2/In0.15Al0.85N type-I heterostructure. By reducing the nitrogen plasma power and flow rate for the overgrown In0.15Al0.85N layers, we achieve unaltered structural properties and a reasonable preservation of photoluminescence intensity with a peak width of 70 meV for MoS2 quantum well (QW). The investigation provides a pathway towards realizing large area, air-stable, lattice matched, and eventual high efficiency In0.15Al0.85N/MoS2/In0.15Al0.85N QW-based light emitting devices.

  7. Type I band alignment in GaAs{sub 81}Sb{sub 19}/GaAs core-shell nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Xu, T. [Institut d' Electronique, de Microélectronique et de Nanotechnologies (IEMN), CNRS, UMR 8520, Département ISEN, 41 bd Vauban, 59046 Lille Cedex (France); Key Laboratory of Advanced Display and System Application, Shanghai University, 149 Yanchang Road, Shanghai 200072 (China); Wei, M. J. [Key Laboratory of Advanced Display and System Application, Shanghai University, 149 Yanchang Road, Shanghai 200072 (China); Capiod, P.; Díaz Álvarez, A.; Han, X. L.; Troadec, D.; Nys, J. P.; Berthe, M.; Lefebvre, I.; Grandidier, B., E-mail: bruno.grandidier@isen.iemn.univ-lille1.fr [Institut d' Electronique, de Microélectronique et de Nanotechnologies (IEMN), CNRS, UMR 8520, Département ISEN, 41 bd Vauban, 59046 Lille Cedex (France); Patriarche, G. [CNRS-Laboratoire de Photonique et de Nanostructures (LPN), Route de Nozay, 91460 Marcoussis (France); Plissard, S. R. [Institut d' Electronique, de Microélectronique et de Nanotechnologies (IEMN), CNRS, UMR 8520, Département ISEN, 41 bd Vauban, 59046 Lille Cedex (France); CNRS-Laboratoire d' Analyse et d' Architecture des Systèmes (LAAS), Univ. de Toulouse, 7 Avenue du Colonel Roche, F-31400 Toulouse (France); Caroff, P. [Institut d' Electronique, de Microélectronique et de Nanotechnologies (IEMN), CNRS, UMR 8520, Département ISEN, 41 bd Vauban, 59046 Lille Cedex (France); Department of Electronic Materials Engineering, Research School of Physics and Engineering, The Australian National University, Canberra, Australian Capital Territory 0200 (Australia); and others

    2015-09-14

    The composition and band gap of the shell that formed during the growth of axial GaAs/GaAs{sub 81}Sb{sub 19}/ GaAs heterostructure nanowires have been investigated by transmission electron microscopy combined with energy dispersion spectroscopy, scanning tunneling spectroscopy, and density functional theory calculations. On the GaAs{sub 81}Sb{sub 19} intermediate segment, the shell is found to be free of Sb (pure GaAs shell) and transparent to the tunneling electrons, despite the (110) biaxial strain that affects its band gap. As a result, a direct measurement of the core band gap allows the quantitative determination of the band offset between the GaAs{sub 81}Sb{sub 19} core and the GaAs shell and identifies it as a type I band alignment.

  8. Structure and method for controlling band offset and alignment at a crystalline oxide-on-semiconductor interface

    Science.gov (United States)

    McKee, Rodney A.; Walker, Frederick J.

    2003-11-25

    A crystalline oxide-on-semiconductor structure and a process for constructing the structure involves a substrate of silicon, germanium or a silicon-germanium alloy and an epitaxial thin film overlying the surface of the substrate wherein the thin film consists of a first epitaxial stratum of single atomic plane layers of an alkaline earth oxide designated generally as (AO).sub.n and a second stratum of single unit cell layers of an oxide material designated as (A'BO.sub.3).sub.m so that the multilayer film arranged upon the substrate surface is designated (AO).sub.n (A'BO.sub.3).sub.m wherein n is an integer repeat of single atomic plane layers of the alkaline earth oxide AO and m is an integer repeat of single unit cell layers of the A'BO.sub.3 oxide material. Within the multilayer film, the values of n and m have been selected to provide the structure with a desired electrical structure at the substrate/thin film interface that can be optimized to control band offset and alignment.

  9. Dynamics of Impurity and Valence Bands in Ga1-xMnxAs Within the Dynamical Mean-Field Approximation

    Energy Technology Data Exchange (ETDEWEB)

    Majidi, M. A. [University of Cincinnati; Moreno, Juana [University of North Dakota, Grand Forks; Jarrell, Mark [University of Cincinnati; Fishman, Randy Scott [ORNL; Aryanpour, K. A. [University of California, Davis

    2006-08-01

    We calculate the density-of-states and the spectral function of Ga1−xMnxAs within the dynamical mean-field approximation. Our model includes the competing effects of the strong spin-orbit coupling on the J=3/2 GaAs hole bands and the exchange interaction between the magnetic ions and the itinerant holes. We study the quasiparticle and impurity bands in the paramagnetic and ferromagnetic phases for different values of impurity-hole coupling Jc at a Mn doping of x=0.05. By analyzing the anisotropic angular distribution of the impurity band carriers at T=0, we conclude that the carrier polarization is optimal when the carriers move along the direction parallel to the average magnetization.

  10. Theory for the mixed-valence state

    International Nuclear Information System (INIS)

    Varma, C.M.

    1979-01-01

    A theory is presented which explains why mixed-valence compounds behave as two component Fermi liquids, and why TmSe orders magnetically while the other known mixed-valence compounds do not. The variation of Tsub(N) and the field Hsub(T) to obtain ferromagnetic alignment with changing Tm 2+ /Tm 3+ ratio is quantitatively explained. For Tm 2+ concentration > = 0.3, TmSe is predicted to order ferromagnetically

  11. Levels of valence

    Directory of Open Access Journals (Sweden)

    Vera eShuman

    2013-05-01

    Full Text Available The distinction between the positive and the negative is fundamental in our emotional life. In appraisal theories, in particular in the component process model of emotion (Scherer, 1984, 2010, qualitatively different types of valence are proposed based on appraisals of (unpleasantness, goal obstructiveness/conduciveness, low or high power, self- (incongruence, and moral badness/goodness. This multifaceted conceptualization of valence is highly compatible with the frequent observation of mixed feelings in real life. However, it seems to contradict the one-dimensional conceptualization of valence often encountered in psychological theories, and the notion of valence as a common currency used to explain choice behavior. Here, we propose a framework to integrate the seemingly disparate conceptualizations of multifaceted valence and one-dimensional valence by suggesting that valence should be conceived at different levels, micro and macro. Micro-valences correspond to qualitatively different types of evaluations, potentially resulting in mixed feelings, whereas one-dimensional macro-valence corresponds to an integrative common currency to compare alternatives for choices. We propose that conceptualizing levels of valence may focus research attention on the mechanisms that relate valence at one level (micro to valence at another level (macro, leading to new hypotheses and addressing various concerns that have been raised about the valence concept, such as the valence-emotion relation.

  12. Levels of Valence

    Science.gov (United States)

    Shuman, Vera; Sander, David; Scherer, Klaus R.

    2013-01-01

    The distinction between the positive and the negative is fundamental in our emotional life. In appraisal theories, in particular in the component process model of emotion (Scherer, 1984, 2010), qualitatively different types of valence are proposed based on appraisals of (un)pleasantness, goal obstructiveness/conduciveness, low or high power, self-(in)congruence, and moral badness/goodness. This multifaceted conceptualization of valence is highly compatible with the frequent observation of mixed feelings in real life. However, it seems to contradict the one-dimensional conceptualization of valence often encountered in psychological theories, and the notion of valence as a common currency used to explain choice behavior. Here, we propose a framework to integrate the seemingly disparate conceptualizations of multifaceted valence and one-dimensional valence by suggesting that valence should be conceived at different levels, micro and macro. Micro-valences correspond to qualitatively different types of evaluations, potentially resulting in mixed feelings, whereas one-dimensional macro-valence corresponds to an integrative “common currency” to compare alternatives for choices. We propose that conceptualizing levels of valence may focus research attention on the mechanisms that relate valence at one level (micro) to valence at another level (macro), leading to new hypotheses, and addressing various concerns that have been raised about the valence concept, such as the valence-emotion relation. PMID:23717292

  13. Absence of paired crossing in the positive parity bands of 124Cs

    Science.gov (United States)

    Singh, A. K.; Basu, A.; Nag, Somnath; Hübel, H.; Domscheit, J.; Ragnarsson, I.; Al-Khatib, A.; Hagemann, G. B.; Herskind, B.; Elema, D. R.; Wilson, J. N.; Clark, R. M.; Cromaz, M.; Fallon, P.; Görgen, A.; Lee, I.-Y.; Ward, D.; Ma, W. C.

    2018-02-01

    High-spin states in 124Cs were populated in the 64Ni(64Ni,p 3 n ) reaction and the Gammasphere detector array was used to measure γ -ray coincidences. Both positive- and negative-parity bands, including bands with chiral configurations, have been extended to higher spin, where a shape change has been observed. The configurations of the bands before and after the alignment are discussed within the framework of the cranked Nilsson-Strutinsky model. The calculations suggest that the nucleus undergoes a shape transition from triaxial to prolate around spin I ≃22 of the positive-parity states. The alignment gain of 8 ℏ , observed in the positive-parity bands, is due to partial alignment of several valence nucleons. This indicates the absence of band crossing due to paired nucleons in the bands.

  14. Type I - type II band alignment of GaAsSb/InAs/GaAs quantum dot heterostructure influenced by dot size and strain reducing layer composition

    Czech Academy of Sciences Publication Activity Database

    Hospodková, Alice; Zíková, Markéta; Pangrác, Jiří; Oswald, Jiří; Kubištová, Jana; Kuldová, Karla; Hazdra, P.; Hulicius, Eduard

    2013-01-01

    Roč. 46, č. 9 (2013), "095103-1"-"095103-9" ISSN 0022-3727 R&D Projects: GA ČR GAP102/10/1201; GA MŠk(CZ) LM2011026 Institutional support: RVO:68378271 Keywords : quantum dot * band alignment * InAs/GaAs * GaAsSb * MOVPE Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.521, year: 2013 http://iopscience.iop.org/0022-3727/46/9/095103/

  15. Valencies of the lanthanides

    OpenAIRE

    Johnson, David A.; Nelson, Peter G.

    2018-01-01

    The valencies of the lanthanides vary more than was once thought. In addition to valencies associated with a half-full shell, there are valencies associated with a quarter- and three-quarter-full shell. This can be explained on the basis of Slater’s theory of many-electron atoms. The same theory explains the variation in complexing constants in the trivalent state (the “tetrad effect”). Valency in metallic and organometallic compounds is also discussed.

  16. Intermediate valence spectroscopy

    International Nuclear Information System (INIS)

    Gunnarsson, O.; Schoenhammer, K.

    1987-01-01

    Spectroscopic properties of intermediate valence compounds are studied using the Anderson model. Due to the large orbital and spin degeneracy N/sub f/ of the 4f-level, 1/N/sub f/ can be treated as a small parameter. This approach provides exact T = 0 results for the Anderson impurity model in the limit N/sub f/ → ∞, and by adding 1/N/sub f/ corrections some properties can be calculated accurately even for N/sub f/ = 1 or 2. In particular valence photoemission and resonance photoemission spectroscopies are studied. A comparison of theoretical and experimental spectra provides an estimate of the parameters in the model. Core level photoemission spectra provide estimates of the coupling between the f-level and the conduction states and of the f-level occupancy. With these parameters the model gives a fair description of other electron spectroscopies. For typical parameters the model predicts two structures in the f-spectrum, namely one structure at the f-level and one at the Fermi energy. The resonance photoemission calculation gives a photon energy dependence for these two peaks in fair agreement with experiment. The peak at the Fermi energy is partly due to a narrow Kondo resonance, resulting from many-body effects and the presence of a continuous, partly filled conduction band. This resonance is related to a large density of low-lying excitations, which explains the large susceptibility and specific heat observed for these systems at low temperatures. 38 references, 11 figures, 2 tables

  17. Ultrawide band gap amorphous oxide semiconductor, Ga–Zn–O

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Junghwan, E-mail: JH.KIM@lucid.msl.titech.ac.jp [Materials and Structures Laboratory, Tokyo Institute of Technology, Mailbox R3-4, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Miyokawa, Norihiko; Sekiya, Takumi; Ide, Keisuke [Materials and Structures Laboratory, Tokyo Institute of Technology, Mailbox R3-4, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Toda, Yoshitake [Materials Research Center for Element Strategy, Tokyo Institute of Technology, Mailbox SE-6, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Hiramatsu, Hidenori; Hosono, Hideo; Kamiya, Toshio [Materials and Structures Laboratory, Tokyo Institute of Technology, Mailbox R3-4, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Materials Research Center for Element Strategy, Tokyo Institute of Technology, Mailbox SE-6, 4259 Nagatsuta, Midori-ku, Yokohama (Japan)

    2016-09-01

    We fabricated amorphous oxide semiconductor films, a-(Ga{sub 1–x}Zn{sub x})O{sub y}, at room temperature on glass, which have widely tunable band gaps (E{sub g}) ranging from 3.47–4.12 eV. The highest electron Hall mobility ~ 7 cm{sup 2} V{sup −1} s{sup −1} was obtained for E{sub g} = ~ 3.8 eV. Ultraviolet photoemission spectroscopy revealed that the increase in E{sub g} with increasing the Ga content comes mostly from the deepening of the valence band maximum level while the conduction band minimum level remains almost unchanged. These characteristics are explained by their electronic structures. As these films can be fabricated at room temperature on plastic, this achievement extends the applications of flexible electronics to opto-electronic integrated circuits associated with deep ultraviolet region. - Highlights: • Incorporation of H/H{sub 2}O stabilizes the amorphous phase. • Ultrawide band gap (~ 3.8 eV) amorphous oxide semiconductor was fabricated. • The increase in band gap comes mostly from the deepening of the valence band maximum level. • Donor level is more likely aligned to the valence band maximum level.

  18. Tunable band alignment in two-phase-coexistence Nb3O7F nanocrystals with enhanced light harvesting and photocatalytic performance

    Science.gov (United States)

    Li, Zhen; Huang, Fei; Feng, Xin; Yan, Aihua; Dong, Haiming; Hu, Miao; Li, Qi

    2018-06-01

    A two-phase-coexistence technique offers intriguing variables to maneuver novel and enhanced functionality in a single-component material. Most importantly, new band alignment and perfect interfaces between two phases can strongly affect local photoelectronic properties. However, previous efforts to achieve two-phase coexistence were mainly restricted to specific systems and methods. Here we demonstrate a phase-transition route to acquire two-phase-coexistence niobium oxyfluoride (Nb3O7F) nanocrystals for the first time. Based on key distinguishing features of the experimental results and theoretical analysis, the phase transition of Nb3O7F involves an organic/inorganic hybrid, heat treating, Al-doping, lattice deformation and structural rearrangement. The band gap can be effectively tuned from 3.03 eV to 2.84 eV, and the VBM can be tuned from 1.49 eV to 1.69 eV according to the phase proportion. Benefiting from uniform nanocrystal size, tunable band alignment and an optimized interfacial structure, the two-phase coexistence markedly enhances visible-light harvesting and the photocatalytic performance of Nb3O7F nanocrystals. The results not only demonstrate an opportunity to explore two-phase coexistence of novel nanocrystals, but also illustrate the role of two-phase coexistence in achieving enhanced photoelectronic properties.

  19. Influence of energy band alignment in mixed crystalline TiO2 nanotube arrays: good for photocatalysis, bad for electron transfer

    Science.gov (United States)

    Mohammadpour, Raheleh

    2017-12-01

    Despite the wide application ranges of TiO2, the precise explanation of the charge transport dynamic through a mixed crystal phase of this semiconductor has remained elusive. Here, in this research, mixed-phase TiO2 nanotube arrays (TNTAs) consisting of anatase and 0-15% rutile phases has been formed through various annealing processes and employed as a photoelectrode of a photovoltaic cell. Wide ranges of optoelectronic experiments have been employed to explore the band alignment position, as well as the depth and density of trap states in TNTAs. Short circuit potential, as well as open circuit potential measurements specified that the band alignment of more than 0.2 eV exists between the anatase and rutile phase Fermi levels, with a higher electron affinity for anatase; this can result in a potential barrier in crystallite interfaces and the deterioration of electron mobility through mixed phase structures. Moreover, a higher density of shallow localized trap states below the conduction band with more depth (133 meV in anatase to 247 meV in 15% rutile phase) and also deep oxygen vacancy traps have been explored upon introducing the rutile phase. Based on our results, employing TiO2 nanotubes as just the electron transport medium in mixed crystalline phases can deteriorate the charge transport mechanism, however, in photocatalytic applications when both electrons and holes are present, a robust charge separation in crystalline anatase/rutile interphases will result in better performances.

  20. 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

  1. Valence band electronic structure of Nb{sub 2}Pd{sub 1.2}Se{sub 5} and Nb{sub 2}Pd{sub 0.95}S{sub 5} superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Lohani, H. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India); Mishra, P. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Goyal, R.; Awana, V.P.S. [National Physical Laboratory(CSIR), Dr. K. S. Krishnan Road, New Delhi 110012 (India); Sekhar, B.R., E-mail: sekhar@iopb.res.in [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India)

    2017-03-15

    We present a comparative study of our valence band photoemission results on Nb{sub 2}Pd{sub 1.2}Se{sub 5} and Nb{sub 2}Pd{sub 0.95}S{sub 5} superconductors which are supported by our DFT based electronic structure calculations. We observe that the VB spectra of both the compounds are qualitatively similar, except for some slight differences in the binding energy positions of all the features. This could be due to the unequal electronegativities of Se and S atom. The calculated density of states (DOS) reveals that the VB features are mainly composed of Pd-Se/S hybridized states. The nature of DOS originating from the distinctly coordinated Pd atoms is different. Further, various Pd-4d and Nb-4d states crossing the Fermi level (E{sub f}) signifies the multiband character of these compounds. In addition, we find a temperature dependent pseudogap in Nb{sub 2}Pd{sub 0.95}S{sub 5} which is absent in Nb{sub 2}Pd{sub 1.2}Se{sub 5}.

  2. Band Alignment for Rectification and Tunneling Effects in Al2O3 Atomic-Layer-Deposited on Back Contact for CdTe Solar Cell.

    Science.gov (United States)

    Su, Yantao; Xin, Chao; Feng, Yancong; Lin, Qinxian; Wang, Xinwei; Liang, Jun; Zheng, Jiaxin; Lin, Yuan; Pan, Feng

    2016-10-11

    The present work intends to explain why ultrathin Al 2 O 3 atomic-layer-deposited (ALD) on the back contact with rectification and tunneling effects can significantly improve the performance of CdTe solar cells in our previous work [ Liang , J. ; et al. Appl. Phys. Lett. 2015 , 107 , 013907 ]. Herein, we further study the mechanism through establishing the interfacial energy band diagram configuration of the ALD Al 2 O 3 /Cu x Te by experiment of X-ray photoelectron spectroscopy and first-principles calculations and conclude to find the band alignment with optimized layer thickness (about 1 nm ALD Al 2 O 3 ) as the key factor for rectification and tunneling effects.

  3. 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.

  4. Oxygen effects on the interfacial electronic structure of titanyl phthalocyanine film: p-Type doping, band bending and Fermi level alignment

    International Nuclear Information System (INIS)

    Nishi, Toshio; Kanai, Kaname; Ouchi, Yukio; Willis, Martin R.; Seki, Kazuhiko

    2006-01-01

    The effect of oxygen doping on titanyl phthalocyanine (TiOPc) film was investigated by ultraviolet photoelectron spectroscopy (UPS). The electronic structure of the interface formed between TiOPc films deposited on highly oriented pyrolytic graphite (HOPG) was clearly different between the films prepared in ultrahigh vacuum (UHV) and under O 2 atmosphere (1.3 x 10 -2 Pa). The film deposited in UHV showed downward band bending characteristic of n-type semiconductor, possibly due to residual impurities working as unintentional n-type dopants. On the other hand, the film deposited under O 2 atmosphere showed upward band bending characteristic of p-type semiconductor. Such trends, including the conversion from n- to p-type, are in excellent correspondence with reported field effect transistor characteristics of TiOPc, and clearly demonstrates that bulk TiOPc film was p-doped with oxygen. In order to examine the Fermi level alignment between TiOPc film and the substrate, the energy of the highest occupied molecular orbital (HOMO) of TiOPc relative to the Fermi level of the conductive substrate was determined for various substrates. The alignment between the Fermi level of conductive substrate and Fermi level of TiOPc film at fixed energy in the bandgap was not observed for the TiOPc film prepared in UHV, possibly because of insufficient charge density in the TiOPc film. This situation was drastically changed when the TiOPc film exposed to O 2 , and clear alignment of the Fermi level fixed at 0.6 eV above the HOMO with the Fermi level of the conducting substrate was observed, probably by p-type doping effect of oxygen. These are the first direct and quantitative information about bulk oxygen doping from the viewpoint of the electronic structure. These results suggest that similar band bending with Fermi level alignment may be also achieved for other organic semiconductors under practical device conditions, and also call for caution at the comparison of experimental

  5. 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.)

  6. Cd-free buffer layer materials on Cu2ZnSn(SxSe1-x)4: Band alignments with ZnO, ZnS, and In2S3

    Science.gov (United States)

    Barkhouse, D. Aaron R.; Haight, Richard; Sakai, Noriyuki; Hiroi, Homare; Sugimoto, Hiroki; Mitzi, David B.

    2012-05-01

    The heterojunctions formed between Cu2ZnSn(SxSe1-x)4 (CZTSSe) and three Cd-free n-type buffers, ZnS, ZnO, and In2S3, were studied using femtosecond ultraviolet photoemission and photovoltage spectroscopy. The electronic properties including the Fermi level location at the interface, band bending in the CZTSSe substrate, and valence and conduction band offsets were determined and correlated with device properties. We also describe a method for determining the band bending in the buffer layer and demonstrate this for the In2S3/CZTSSe system. The chemical bath deposited In2S3 buffer is found to have near optimal conduction band offset (0.15 eV), enabling the demonstration of Cd-free In2S3/CZTSSe solar cells with 7.6% power conversion efficiency.

  7. Polytypism and band alignment in ZnSe nanowires revealed by photoluminescence spectroscopy of embedded (Zn,Cd)Se quantum dots

    Science.gov (United States)

    Bieker, S.; Pfeuffer, R.; Kiessling, T.; Tarakina, N.; Schumacher, C.; Ossau, W.; Molenkamp, L. W.; Karczewski, G.

    2015-03-01

    We report on the optical characterization of single (Zn,Cd)Se quantum dots (QDs) embedded in vapor-liquid-solid-grown ZnSe nanowires (NWs). The temperature dependent quenching of the QD luminescence demonstrates that their electronic structure is comparable to that of self-assembled (Zn,Cd)Se QDs in ZnSe matrices. The photoluminescence excitation (PLE) spectrum of single nanowire QDs reveals the presence of both zinc blende (ZB) and wurtzite (WZ) crystal modifications of ZnSe in the NW shafts. PLE provides, therefore, a complementary technique to transmission electron microscopy imaging to reveal polytypism in ZnSe NWs. A transient quenching of the PL emission suggests a type II staggered band alignment at the ZB/WZ interface in our ZnSe NWs.

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

    Science.gov (United States)

    Yang, Chen; Zhao, Zong-Yan

    2017-11-08

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

  9. Spatially resolved band alignments at Au-hexadecanethiol monolayer-GaAs(001) interfaces by ballistic electron emission microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Junay, A.; Guézo, S., E-mail: sophie.guezo@univ-rennes1.fr; Turban, P.; Delhaye, G.; Lépine, B.; Tricot, S.; Ababou-Girard, S.; Solal, F. [Département Matériaux-Nanosciences, Institut de Physique de Rennes, UMR 6251, CNRS-Université de Rennes 1, Campus de Beaulieu, Bât 11E, 35042 Rennes Cedex (France)

    2015-08-28

    We study structural and electronic inhomogeneities in Metal—Organic Molecular monoLayer (OML)—semiconductor interfaces at the sub-nanometer scale by means of in situ Ballistic Electron Emission Microscopy (BEEM). BEEM imaging of Au/1-hexadecanethiols/GaAs(001) heterostructures reveals the evolution of pinholes density as a function of the thickness of the metallic top-contact. Using BEEM in spectroscopic mode in non-short-circuited areas, local electronic fingerprints (barrier height values and corresponding spectral weights) reveal a low-energy tunneling regime through the insulating organic monolayer. At higher energies, BEEM evidences new conduction channels, associated with hot-electron injection in the empty molecular orbitals of the OML. Corresponding band diagrams at buried interfaces can be thus locally described. The energy position of GaAs conduction band minimum in the heterostructure is observed to evolve as a function of the thickness of the deposited metal, and coherently with size-dependent electrostatic effects under the molecular patches. Such BEEM analysis provides a quantitative diagnosis on metallic top-contact formation on organic molecular monolayer and appears as a relevant characterization for its optimization.

  10. Band alignment investigations of heterostructure NiO/TiO2 nanomaterials used as efficient heterojunction earth-abundant metal oxide photocatalysts for hydrogen production.

    Science.gov (United States)

    Uddin, Md T; Nicolas, Y; Olivier, C; Jaegermann, W; Rockstroh, N; Junge, H; Toupance, T

    2017-07-26

    Earth-abundant NiO/anatase TiO 2 heteronanostructures were prepared by a straightforward one-pot sol-gel synthetic route followed by a suitable thermal post-treatment. The resulting 0.1-4 wt% NiO-decorated anatase TiO 2 nanoparticles were characterized by X-ray diffraction, electron microscopy, Raman and UV-visible spectroscopy and N 2 sorption analysis, and showed both nanocrystallinity and mesoporosity. The careful determination of the energy band alignment diagram by a suitable combination of XPS/UPS and absorption spectroscopy data revealed significant band bending at the interface of the p-n NiO/anatase TiO 2 heterojunction nanoparticles. Furthermore, these heterojunction photocatalysts exhibited an improved photocatalytic activity in H 2 production by methanol photoreforming compared to pure anatase TiO 2 and commercial P25. Thus, an average H 2 production rate of 2693 μmol h -1 g -1 was obtained for the heterojunction of a 1 wt% NiO/anatase photocatalyst, which is one of the most efficient NiO/anatase TiO 2 systems ever reported. An enhanced dissociation efficiency of the photogenerated electron-hole pairs resulting from an internal electric field developed at the interface of the NiO/anatase TiO 2 p-n heterojunctions is suggested to be the reason of this enhanced photocatalytic activity.

  11. Effect of band-aligned double absorber layers on photovoltaic characteristics of chemical bath deposited PbS/CdS thin film solar cells.

    Science.gov (United States)

    Ho Yeon, Deuk; Chandra Mohanty, Bhaskar; Lee, Seung Min; Soo Cho, Yong

    2015-09-23

    Here we report the highest energy conversion efficiency and good stability of PbS thin film-based depleted heterojunction solar cells, not involving PbS quantum dots. The PbS thin films were grown by the low cost chemical bath deposition (CBD) process at relatively low temperatures. Compared to the quantum dot solar cells which require critical and multistep complex procedures for surface passivation, the present approach, leveraging the facile modulation of the optoelectronic properties of the PbS films by the CBD process, offers a simpler route for optimization of PbS-based solar cells. Through an architectural modification, wherein two band-aligned junctions are stacked without any intervening layers, an enhancement of conversion efficiency by as much as 30% from 3.10 to 4.03% facilitated by absorption of a wider range of solar spectrum has been obtained. As an added advantage of the low band gap PbS stacked over a wide gap PbS, the devices show stability over a period of 10 days.

  12. Effect of band alignment on photoluminescence and carrier escape from InP surface quantum dots grown by metalorganic chemical vapor deposition on Si

    Energy Technology Data Exchange (ETDEWEB)

    Halder, Nripendra N. [Advanced Technology Development Centre, Indian Institute of Technology, Kharagpur 721 302 (India); Biswas, Pranab; Banerji, P., E-mail: pallab@matsc.iitkgp.ernet.in [Materials Science Centre, Indian Institute of Technology, Kharagpur 721 302 (India); Dhabal Das, Tushar; Das, Sanat Kr.; Chattopadhyay, S. [Department of Electronic Science, University of Calcutta, 92 Acharya Prafulla Chandra Road, Kolkata 700 009 (India); Biswas, D. [Department of Electronics and Electrical Communication Engineering, Indian Institute of Technology, Kharagpur 721 302 (India)

    2014-01-28

    A detailed analysis of photoluminescence (PL) from InP quantum dots (QDs) grown on Si has been carried out to understand the effect of substrate/host material in the luminescence and carrier escape process from the surface quantum dots. Such studies are required for the development of monolithically integrated next generation III-V QD based optoelectronics with fully developed Si microelectronics. The samples were grown by atmospheric pressure metalorganic chemical vapor deposition technique, and the PL measurements were made in the temperature range 10–80 K. The distribution of the dot diameter as well as the dot height has been investigated from atomic force microscopy. The origin of the photoluminescence has been explained theoretically. The band alignment of InP/Si heterostructure has been determined, and it is found be type II in nature. The positions of the conduction band minimum of Si and the 1st excited state in the conduction band of InP QDs have been estimated to understand the carrier escape phenomenon. A blue shift with a temperature co-efficient of 0.19 meV/K of the PL emission peak has been found as a result of competitive effect of different physical processes like quantum confinement, strain, and surface states. The corresponding effect of blue shift by quantum confinement and strain as well as the red shift by the surface states in the PL peaks has been studied. The origin of the luminescence in this heterojunction is found to be due to the recombination of free excitons, bound excitons, and a transition from the 1st electron excited state in the conduction band (e{sub 1}) to the heavy hole band (hh{sub 1}). Monotonic decrease in the PL intensity due to increase of thermally escaped carriers with temperature has been observed. The change in barrier height by the photogenerated electric-field enhanced the capture of the carriers by the surface states rather than their accumulation in the QD excited state. From an analysis of the dependence of

  13. Decoding emotional valence from electroencephalographic rhythmic activity.

    Science.gov (United States)

    Celikkanat, Hande; Moriya, Hiroki; Ogawa, Takeshi; Kauppi, Jukka-Pekka; Kawanabe, Motoaki; Hyvarinen, Aapo

    2017-07-01

    We attempt to decode emotional valence from electroencephalographic rhythmic activity in a naturalistic setting. We employ a data-driven method developed in a previous study, Spectral Linear Discriminant Analysis, to discover the relationships between the classification task and independent neuronal sources, optimally utilizing multiple frequency bands. A detailed investigation of the classifier provides insight into the neuronal sources related with emotional valence, and the individual differences of the subjects in processing emotions. Our findings show: (1) sources whose locations are similar across subjects are consistently involved in emotional responses, with the involvement of parietal sources being especially significant, and (2) even though the locations of the involved neuronal sources are consistent, subjects can display highly varying degrees of valence-related EEG activity in the sources.

  14. Band bending and alignment at the spinel/perovskite γ−Al2O3/SrTiO3 heterointerface

    DEFF Research Database (Denmark)

    Schütz, P.; Pfaff, F.; Scheiderer, P.

    2015-01-01

    We present a comprehensive study of the band bending and alignment at the interface of γ -Al2O3/SrTiO3 heterostructures by hard x-ray photoelectron spectroscopy. Ourmeasurements find no signs for a potential gradient within the polar γ -Al2O3 film as predicted by the basic electronic reconstructi...

  15. Valency and molecular structure

    CERN Document Server

    Cartmell, E

    1977-01-01

    Valency and Molecular Structure, Fourth Edition provides a comprehensive historical background and experimental foundations of theories and methods relating to valency and molecular structures. In this edition, the chapter on Bohr theory has been removed while some sections, such as structures of crystalline solids, have been expanded. Details of structures have also been revised and extended using the best available values for bond lengths and bond angles. Recent developments are mostly noted in the chapter on complex compounds, while a new chapter has been added to serve as an introduction t

  16. Plutonium valence state distributions

    International Nuclear Information System (INIS)

    Silver, G.L.

    1974-01-01

    A calculational method for ascertaining equilibrium valence state distributions of plutonium in acid solutions as a function of the plutonium oxidation number and the solution acidity is illustrated with an example. The method may be more practical for manual use than methods based upon polynomial equations. (T.G.)

  17. Alignment of the dye's molecular levels with the TiO2 band edges in dye-sensitized solar cells: a DFT-TDDFT study

    International Nuclear Information System (INIS)

    De Angelis, Filippo; Fantacci, Simona; Selloni, Annabella

    2008-01-01

    We present a theoretical study of the lineup of the LUMO of Ru(II)-polypyridyl (N3 and N719) molecular dyes with the conduction band edge of a TiO 2 anatase nanoparticle. We use density functional theory (DFT) and the Car-Parrinello scheme for efficient optimization of the dye-nanoparticle systems, followed by hybrid B3LYP functional calculations of the electronic structure and time-dependent DFT (TDDFT) determination of the lowest vertical excitation energies. The electronic structure and TDDFT calculations are performed in water solution, using a continuum model. Various approximate procedures to compute the excited state oxidation potential of dye sensitizers are discussed. Our calculations show that the level alignment for the interacting nanoparticle-sensitizer system is very similar, within about 0.1 eV, to that for the separated TiO 2 and dye. The excellent agreement of our results with available experimental data indicates that the approach of this work could be used as an efficient predictive tool to help the optimization of dye-sensitized solar cells.

  18. 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.

  19. Band alignment and charge transfer predictions of ZnO/ZnX (X = S, Se or Te) interfaces applied to solar cells: a PBE+U theoretical study.

    Science.gov (United States)

    Flores, Efracio Mamani; Gouvea, Rogério Almeida; Piotrowski, Maurício Jeomar; Moreira, Mário Lucio

    2018-02-14

    The engineering of semiconductor materials for the development of solar cells is of great importance today. Two topics are considered to be of critical importance for the efficiency of Grätzel-type solar cells, the efficiency of charge separation and the efficiency of charge carrier transfer. Thus, one research focus is the combination of semiconductor materials with the aim of reducing charge recombination, which occurs by spatial charge separation. From an experimental point of view, the combining of materials can be achieved by decorating a core with a shell of another material resulting in a core-shell system, which allows control of the desired photoelectronic properties. In this context, a computational simulation is mandatory for the atomistic understanding of possible semiconductor combinations and for the prediction of their properties. Considering the construction of ZnO/ZnX (X = S, Se or Te) interfaces, we seek to investigate the electronic influence of the shell (ZnX) on the core (ZnO) and, consequently, find out which of the interfaces would present the appropriate properties for (Grätzel-type) solar cell applications. To perform this study, we have employed density functional theory (DFT) calculations, considering the Perdew-Burke-Ernzerhof (PBE) functional. However, it is well-known that plain DFT fails to describe strong electronic correlated materials where, in general, an underestimation of the band gap is obtained. Thus, to obtain the correct description of the electronic properties, a Hubbard correction was employed, i.e. PBE+U calculations. The PBE+U methodology provided the correct electronic structure properties for bulk ZnO in good agreement with experimental values (99.4%). The ZnO/ZnX interfaces were built and were composed of six ZnO layers and two ZnX layers, which represents the decoration process. The core-shell band gap was 2.2 eV for ZnO/ZnS, ∼1.71 eV for ZnO/ZnSe and ∼0.95 eV for ZnO/ZnTe, which also exhibited a type-II band

  20. Micro-Valences: Affective valence in neutral everyday objects

    Directory of Open Access Journals (Sweden)

    Sophie eLebrecht

    2012-04-01

    Full Text Available Affective valence influences both our cognition and our perception of the world. Indeed, the speed and quality with which we recognize objects in a visual scene can vary dramatically depending on its affective content. However, affective processing of visual objects has been typically studied using only stimuli with strong affective valences (e.g., guns or roses. Here we explore whether affective valence must be strong or obvious to exert an effect on our perception. We conclude that the majority of objects carry some affective valence (micro-valences and, thus, nominally neutral objects are not really neutral. Functionally, the perception of valence in everyday objects facilitates perceptually-driven choice behavior, decision-making, and affective responses.

  1. Micro-Valences: Affective valence in neutral everyday objects

    OpenAIRE

    Sophie eLebrecht; Moshe eBar; Lisa F Barrett; Michael J Tarr

    2012-01-01

    Affective valence influences both our cognition and our perception of the world. Indeed, the speed and quality with which we recognize objects in a visual scene can vary dramatically depending on its affective content. However, affective processing of visual objects has been typically studied using only stimuli with strong affective valences (e.g., guns or roses). Here we explore whether affective valence must be strong or obvious to exert an effect on our perception. We conclude that the maj...

  2. CzEngVallex: a Bilingual Czech-English Valency Lexicon

    Directory of Open Access Journals (Sweden)

    Urešová Zdeňka

    2016-04-01

    Full Text Available This paper introduces a new bilingual Czech-English verbal valency lexicon (called CzEng-Vallex representing a relatively large empirical database. It includes 20,835 aligned valency frame pairs (i.e., verb senses which are translations of each other and their aligned arguments. This new lexicon uses data from the Prague Czech-English Dependency Treebank and also takes advantage of the existing valency lexicons for both languages: the PDT-Vallex for Czech and the EngVallex for English. The CzEngVallex is available for browsing as well as for download in the LINDAT/CLARIN repository.

  3. Dynamics of Impurity and Valence Bands in Ga1-xMnzAs Within the Dynamical Mean Field Approximation

    Energy Technology Data Exchange (ETDEWEB)

    Majidi, M. A. [University of Cincinnati; Moreno, Juana [University of North Dakota, Grand Forks; Jarrell, Mark [University of Cincinnati; Fishman, Randy Scott [ORNL; Aryanpour, K. A. [University of California, Davis

    2006-01-01

    We calculate the density-of-states and the spectral function of Ga{sub 1-x}Mn{sub x}As within the dynamical mean-field approximation. Our model includes the competing effects of the strong spin-orbit coupling on the J=3/2 GaAs hole bands and the exchange interaction between the magnetic ions and the itinerant holes. We study the quasiparticle and impurity bands in the paramagnetic and ferromagnetic phases for different values of impurity-hole coupling J{sub c} at a Mn doping of x=0.05. By analyzing the anisotropic angular distribution of the impurity band carriers at T=0, we conclude that the carrier polarization is optimal when the carriers move along the direction parallel to the average magnetization.

  4. Accessing the band alignment in high efficiency Cu(In,Ga)(Se,S)2 (CIGSSe) solar cells with an InxSy:Na buffer based on temperature dependent measurements and simulations

    Science.gov (United States)

    Schoneberg, Johannes; Ohland, Jörg; Eraerds, Patrick; Dalibor, Thomas; Parisi, Jürgen; Richter, Michael

    2018-04-01

    We present a one-dimensional simulation model for high efficiency Cu(In,Ga)(Se,S)2 solar cells with a novel band alignment at the hetero-junction. The simulation study is based on new findings about the doping concentration of the InxSy:Na buffer and i-ZnO layers as well as comprehensive solar cell characterization by means of capacitance, current voltage, and external quantum efficiency measurements. The simulation results show good agreement with the experimental data over a broad temperature range, suggesting the simulation model with an interface-near region (INR) of approximately 100 nm around the buffer/absorber interface that is of great importance for the solar cell performance. The INR exhibits an inhomogeneous doping and defect density profile as well as interface traps at the i-layer/buffer and buffer/absorber interfaces. These crucial parameters could be accessed via their opposing behavior on the simulative reconstruction of different measurement characteristics. In this work, we emphasize the necessity to reconstruct the results of a set of experimental methods by means of simulation to find the most appropriate model for the solar cell. Lowly doped buffer and intrinsic window layers in combination with a high space charge at the front of the absorber lead to a novel band alignment in the simulated band structure of the solar cell. The presented insights may guide the strategy of further solar cell optimization including (alkali-) post deposition treatments.

  5. Control of exciton confinement in quantum dot-organic complexes through energetic alignment of interfacial orbitals.

    Science.gov (United States)

    Frederick, Matthew T; Amin, Victor A; Swenson, Nathaniel K; Ho, Andrew Y; Weiss, Emily A

    2013-01-09

    This paper describes a method to control the quantum confinement, and therefore the energy, of excitonic holes in CdSe QDs through adsorption of the hole-delocalizing ligand phenyldithiocarbamate, PTC, and para substitutions of the phenyl ring of this ligand with electron-donating or -withdrawing groups. These substitutions control hole delocalization in the QDs through the energetic alignment of the highest occupied orbitals of PTC with the highest density-of-states region of the CdSe valence band, to which PTC couples selectively.

  6. Tuning band alignment by CdS layers using a SILAR method to enhance TiO2/CdS/CdSe quantum-dot solar-cell performance.

    Science.gov (United States)

    Zhang, Bingkai; Zheng, Jiaxin; Li, Xiaoning; Fang, Yanyan; Wang, Lin-Wang; Lin, Yuan; Pan, Feng

    2016-04-28

    We report tuning band alignment by optimized CdS layers using a SILAR method to achieve the recorded best performance with about 6% PCE in TiO2/CdS/CdSe QDSSCs. Combining experimental and theoretical studies, we find that a better lattices match between CdS and TiO2 assists the growth of CdSe, and the combined effect of charge transfer and surface dipole moment at the TiO2/CdS/CdSe interface shifts the energy levels of TiO2 upward and increases Voc of the solar cells. More importantly, the band gap of CdS buffer layers is sensitive to the distortion induced by lattice mismatch and numbers of CdS layers. For example, the barrier for charge transfer disappears when there are more than 4 layers of CdS, facilitating the charge injection from CdSe to TiO2.

  7. 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.

  8. Spin assignment and behavior of superdeformed bands in A∼150 mass region

    International Nuclear Information System (INIS)

    Khalaf, A.; Sirag, M.; Taha, M.

    2012-01-01

    The smoothed experimental dynamical moment of inertia J (2) values were fitted with a theoretical version depend on Harris three parameter formula in even power of angular frequency ω, derived for results from cranking model. The expansion parameters were adjusted by using a computer simulated search program. The best expansion parameters from the fit were used to assign the spins of the superdeformed ( SD ) rotational bands (RB ) by integrating the calculated J (2) . The data set include 23 RB's in 11 SD nuclei, which show no evidence of either irregular behavior near the bottom of the bands or abrupt angular momentum at low rotational frequency in the mass region ranging from A= 142 to A = 154. we used the differences of angular momenta at constant frequency as effective alignment. The relative properties of superdeformed rotational bands (SDRB's) are analyzed in terms of the effective alignment of the valence nucleons. The effective alignment is a powerful tool to assign the configurations, to select the identical bands as well as to predict new SD bands from other combination of the orbitals. The ΔI = 2 energy staggering observed in 3 of our selected SDRB's are also described from a smooth reference representing the finite difference approximation to the fourth derivative of the γ-ray transition energies.

  9. Band termination in the N=Z nucleus 44Ti

    International Nuclear Information System (INIS)

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

    1998-01-01

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

  10. Pulsed laser deposition of HfO{sub 2} thin films on indium zinc oxide: Band offsets measurements

    Energy Technology Data Exchange (ETDEWEB)

    Craciun, D.; Craciun, V., E-mail: valentin.craciun@inflpr.ro

    2017-04-01

    Highlights: • High quality amorphous IZO and HfO{sub 2} films were obtained by PLD technique. • XPS measurements were used to obtain the valence band alignment in HfO{sub 2}/IZO heterostructure. • A valence band offset (ΔE{sub V}) of 1.75 eV was obtained for the HfO{sub 2}/IZO heterostructure. • A conduction band offset (ΔE{sub C}) of 0.65 eV was estimated for the HfO{sub 2}/IZO heterostructure. - Abstract: One of the most used dielectric films for amorphous indium zinc oxide (IZO) based thin films transistor is HfO{sub 2}. The estimation of the valence band discontinuity (ΔE{sub V}) of HfO{sub 2}/IZO heterostructure grown using the pulsed laser deposition technique, with In/(In + Zn) = 0.79, was obtained from X-ray photoelectron spectroscopy (XPS) measurements. The binding energies of Hf 4d5, Zn 2p3 and In 3d5 core levels and valence band maxima were measured for thick pure films and for a very thin HfO{sub 2} film deposited on a thick IZO film. A value of ΔE{sub V} = 1.75 ± 0.05 eV was estimated for the heterostructure. Taking into account the measured HfO{sub 2} and IZO optical bandgap values of 5.50 eV and 3.10 eV, respectively, a conduction band offset ΔE{sub C} = 0.65 ± 0.05 eV in HfO{sub 2}/IZO heterostructure was then obtained.

  11. Nanoscratch technique for aligning multiwalled carbon nanotubes ...

    Indian Academy of Sciences (India)

    Carbon nanotube; arc discharge; characterization; alignment; nanoscratch. 1. Introduction ... During arc discharge, when the gap between the electrodes is ∼ 1 mm, ..... increase in the D band intensity in the aligned region may not be possibly ...

  12. Interlayer Excitons and Band Alignment in MoS2/hBN/WSe2 van der Waals Heterostructures

    DEFF Research Database (Denmark)

    Latini, Simone; Winther, Kirsten Trøstrup; Olsen, Thomas

    2017-01-01

    -emitting diodes. An important first step in describing such processes is to obtain the energies of the interlayer exciton states existing at the interface. Here we present a general first-principles method to compute the electronic quasi-particle (QP) band structure and excitonic binding energies...

  13. Electron and hole photoemission detection for band offset determination of tunnel field-effect transistor heterojunctions

    International Nuclear Information System (INIS)

    Li, Wei; Zhang, Qin; Kirillov, Oleg A.; Levin, Igor; Richter, Curt A.; Gundlach, David J.; Nguyen, N. V.; Bijesh, R.; Datta, S.; Liang, Yiran; Peng, Lian-Mao; Liang, Xuelei

    2014-01-01

    We report experimental methods to ascertain a complete energy band alignment of a broken-gap tunnel field-effect transistor based on an InAs/GaSb hetero-junction. By using graphene as an optically transparent electrode, both the electron and hole barrier heights at the InAs/GaSb interface can be quantified. For a Al 2 O 3 /InAs/GaSb layer structure, the barrier height from the top of the InAs and GaSb valence bands to the bottom of the Al 2 O 3 conduction band is inferred from electron emission whereas hole emissions reveal the barrier height from the top of the Al 2 O 3 valence band to the bottom of the InAs and GaSb conduction bands. Subsequently, the offset parameter at the broken gap InAs/GaSb interface is extracted and thus can be used to facilitate the development of predicted models of electron quantum tunneling efficiency and transistor performance

  14. Valence effects of sorption: laboratory control of valence state

    International Nuclear Information System (INIS)

    Meyer, R.E.; Arnold, W.D.; Case, F.I.

    1984-01-01

    Estimation of the rates of migration of nuclides from nuclear waste repositories required knowledge of the interaction of these nuclides with the components of the geological formations in the path of the migration. These interactions will be dependent upon the valence state and speciation of the nuclide. If the valence state is not known, then there can be little confidence in use of the data for safety analysis. An electrochemical method of valence state control was developed which makes use of a porous electrode in a flow system containing a column of the adsorbent. By use of this method and solvent extraction analyses of the valence states, a number of reactions of interest to HLW repositories were investigated. These include the reduction of Np(V) and Tc(VII) by crushed basalt and other minerals. For the reduction of Np(V) by basalt, the experiments indicate that sorption on basalt increases with pH and that most of the Np is reduced to Np(IV). The adsorbed Np(IV) is very difficult to remove from the basalt. For the experiments with Tc(VII), the results are considerably more complicated. The results of these experiments are used to assess some of the techniques and methods currently used in safety analyses of proposed HLW repositories. Perhaps the most important consideration is that predictive modeling of valence change reactions, such as the reduction of Np(V) and Tc(VII), must be used with considerable caution, and the occurrence of such reactions should be verified as best as possible with experiments using valence state control and analyses. 13 references, 3 figures, 1 table

  15. Energy-band alignment of (HfO2)x(Al2O3)1-x gate dielectrics deposited by atomic layer deposition on β-Ga2O3 (-201)

    Science.gov (United States)

    Yuan, Lei; Zhang, Hongpeng; Jia, Renxu; Guo, Lixin; Zhang, Yimen; Zhang, Yuming

    2018-03-01

    Energy band alignments between series band of Al-rich high-k materials (HfO2)x(Al2O3)1-x and β-Ga2O3 are investigated using X-Ray Photoelectron Spectroscopy (XPS). The results exhibit sufficient conduction band offsets (1.42-1.53 eV) in (HfO2)x(Al2O3)1-x/β-Ga2O3. In addition, it is also obtained that the value of Eg, △Ec, and △Ev for (HfO2)x(Al2O3)1-x/β-Ga2O3 change linearly with x, which can be expressed by 6.98-1.27x, 1.65-0.56x, and 0.48-0.70x, respectively. The higher dielectric constant and higher effective breakdown electric field of (HfO2)x(Al2O3)1-x compared with Al2O3, coupled with sufficient barrier height and lower gate leakage makes it a potential dielectric for high voltage β-Ga2O3 power MOSFET, and also provokes interest in further investigation of HfAlO/β-Ga2O3 interface properties.

  16. A study of the valence shell electronic states of s-triazine by photoabsorption spectroscopy and ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Holland, D.M.P., E-mail: david.holland@stfc.ac.uk [Daresbury Laboratory, Daresbury, Warrington, Cheshire WA4 4AD (United Kingdom); Shaw, D.A. [Daresbury Laboratory, Daresbury, Warrington, Cheshire WA4 4AD (United Kingdom); Stener, M.; Decleva, P. [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, Via L. Giorgieri, I-34127 Trieste (Italy); Consorzio Interuniversitario Nazionale per la Scienze e Tecnologia dei Materiali, INSTM, Unità di Trieste (Italy); CNR-IOM, Trieste (Italy); Coriani, S. [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, Via L. Giorgieri, I-34127 Trieste (Italy); Consorzio Interuniversitario Nazionale per la Scienze e Tecnologia dei Materiali, INSTM, Unità di Trieste (Italy); Aarhus Institute of Advanced Studies, Aarhus University, 8000 Aarhus C (Denmark)

    2016-09-30

    Highlights: • The valence shell photoabsorption spectrum of s-triazine has been measured. • Electronic structure calculated with TDDFT and coupled cluster approaches. • Assignments proposed for Rydberg and valence states. • Mixing between Rydberg and valence states important. - Abstract: The absolute photoabsorption cross section of s-triazine has been measured between 4 and 40 eV, and is dominated by bands associated with valence states. Structure due to Rydberg excitations is both weak and irregular. Jahn-Teller interactions affect the vibronic structure observed in the Rydberg absorption bands due to excitation from the 1e″ or 6e′ orbitals. The interpretation of the experimental spectrum has been guided by transition energies and oscillator strengths, for Rydberg and valence states, calculated with the time-dependent version of density functional theory and with the coupled cluster linear response approach. The theoretical studies indicate that Rydberg/Rydberg and Rydberg/valence mixing is important.

  17. 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.

  18. 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.

  19. 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.

  20. Valence instabilities as a source of actinide system inconsistencies

    International Nuclear Information System (INIS)

    Sandenaw, T.A.

    1979-01-01

    Light actinide elements alone, and in some of their alloys, may exist as a static or dynamic mixture of two configurations. Such a state can explain both a resistivity maximum and lack of magnetic order observed in so many actinide materials, and still be compatible with the existence of f-electrons in narrow bands. Impurity elements may stabilize slightly different intermediate valence states in U, Np, and Pu, thus contributing to inconsistencies in published results. The physical property behavior of mixed-valence, rare-earth compounds is very much like that observed in development of antiphase (martensitic) structures. Martensitic transformations in U, Np, and Pu, from high-temperature b. c. c. to alpha phase, may be a way of ordering an alloy-like metal of mixed or intermediate valence. The relative stability of each phase structure may depend upon its electron-valence ratio. A Hubbard model for electron correlations in a narrow energy band has been invoked in most recent theories for explaining light actinide behavior. Such a model may also be applicable to crystal symmetry changes in martensitic transformations in actinides

  1. Electrical tuning of the band alignment and magnetoconductance in an n-type ferromagnetic semiconductor (In,Fe)As-based spin-Esaki diode

    Science.gov (United States)

    Anh, Le Duc; Hai, Pham Nam; Tanaka, Masaaki

    2018-03-01

    We report a strong bias dependence of the magnetoconductance (MC) of a spin-Esaki diode composed of n+-type ferromagnetic semiconductor (FMS) (In,Fe)As and p+-type Be doped InAs grown on a p+-InAs (001) substrate by molecular beam epitaxy. When the bias voltage V is increased above 450 mV in the forward bias, we found that the MC, measured at 3.5 K under a magnetic field H of 1 T in the in-plane [110] direction, changes its sign from positive to negative and its magnitude rises rapidly from 0.5% at V fluid model, we explain both the magnitude and the anisotropy of the MC based on the evolution of the spin-Esaki diode's band profile with V. This analysis provides insights into the density of states and spin-polarization of the conduction band and the Fe-related impurity band in n-type FMS (In,Fe)As.

  2. Localized description of valence fluctuations

    International Nuclear Information System (INIS)

    Alascio, B.; Allub, R.; Aligia, A.

    1979-07-01

    The authors set up a model for intermediate valence equivalent to the ''atomic'' limit of the Anderson Hamiltonian. Detailed analysis of this model shows that most of the essential characteristics of valence fluctuators are already present in this crudely simplified Hamiltonian. The spin-spin and the 4f charge-charge correlation functions are studied and it is shown that it is possible to define a spin fluctuation frequency ωsub(s.f.) and a charge fluctuation frequency ωsub(ch.f.).ωsub(s.f.) and ωsub(ch.f.) can differ considerably for some values of the parameters of the model. The magnetic susceptibility and the specific heat are calculated as functions of temperature and it is shown how the results simulate the behaviour found in valence fluctuators. (author)

  3. Theoretical prediction of the band offsets at the ZnO/anatase TiO{sub 2} and GaN/ZnO heterojunctions using the self-consistent ab initio DFT/GGA-1/2 method

    Energy Technology Data Exchange (ETDEWEB)

    Fang, D. Q., E-mail: fangdqphy@mail.xjtu.edu.cn; Zhang, S. L. [MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, School of Science, Xi’an Jiaotong University, Xi’an 710049 (China)

    2016-01-07

    The band offsets of the ZnO/anatase TiO{sub 2} and GaN/ZnO heterojunctions are calculated using the density functional theory/generalized gradient approximation (DFT/GGA)-1/2 method, which takes into account the self-energy corrections and can give an approximate description to the quasiparticle characteristics of the electronic structure of semiconductors. We present the results of the ionization potential (IP)-based and interfacial offset-based band alignments. In the interfacial offset-based band alignment, to get the natural band offset, we use the surface calculations to estimate the change of reference level due to the interfacial strain. Based on the interface models and GGA-1/2 calculations, we find that the valence band maximum and conduction band minimum of ZnO, respectively, lie 0.64 eV and 0.57 eV above those of anatase TiO{sub 2}, while lie 0.84 eV and 1.09 eV below those of GaN, which agree well with the experimental data. However, a large discrepancy exists between the IP-based band offset and the calculated natural band offset, the mechanism of which is discussed. Our results clarify band alignment of the ZnO/anatase TiO{sub 2} heterojunction and show good agreement with the GW calculations for the GaN/ZnO heterojunction.

  4. The carrier transport mechanism and band offset at the interface of ZnO/n-Si(111) heterojunction

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yapeng, E-mail: liyp1984@126.com [School of Materials Science and Engineering, Shaanxi University of Technology, Hanzhong 723001 (China); Li, Yingfeng [School of Electrical Engineering, Shaanxi University of Technology, Hanzhong 723001 (China); Wang, Jianyuan [School of Nature and Applied Science, Northwestern Polytechnical University, Xi' an 710072 (China); He, Zhirong; Zhang, Yonghong; Yu, Qi; Hou, Juncai [School of Materials Science and Engineering, Shaanxi University of Technology, Hanzhong 723001 (China)

    2017-05-15

    Highlights: • The carrier transport deviated from ideal thermionic emission model. • One deep level present at the interface of ZnO/n-Si(111) heterojunction. • The band offsets of ZnO/n-Si(111) heterojunction are a type-II band alignment. - Abstract: The ZnO films were deposited on the surface of n-Si(111) substrate by pulsed laser deposition for fabrication of ZnO/n-Si(111) heterojunction. The carrier transport mechanism, deep level defects and band offsets at the interface of ZnO/n-Si(111) heterojunction were investigated by current- voltage measurement, deep level transient spectroscopy, X-ray photoelectron spectroscopy, respectively. The results showed that the barrier height and ideality factor values varied in the different linear voltage range by using the thermionic emission model, which was due to the deep level participated in carrier transport. Meanwhile, it was found that one deep level appeared at the interface of ZnO/n-Si(111) heterojunction with densities of the deep level about 8.5 × 10{sup 16} cm{sup −3} and activation energies about 224 m eV, which originated from O{sup 2−} vacancies of ZnO films. In addition, the valence band offset of the ZnO/n-Si(111) heterojunction can be calculated to be −2.4 ± 0.15 eV. The conduction band offset is deduced to be −3.5 ± 0.15 eV from the valence band offset value, indicating that the band offsets of ZnO/n-Si(111) heterojunction is a type-II band alignment.

  5. Observing the semiconducting band-gap alignment of MoS{sub 2} layers of different atomic thicknesses using a MoS{sub 2}/SiO{sub 2}/Si heterojunction tunnel diode

    Energy Technology Data Exchange (ETDEWEB)

    Nishiguchi, Katsuhiko, E-mail: nishiguchi.katsuhiko@lab.ntt.co.jp; Yamaguchi, Hiroshi; Fujiwara, Akira [NTT Basic Research Laboratories, 3-1 Morinosato Wakamiya, Atsugi, Kanagawa 243-0198 (Japan); Castellanos-Gomez, Andres; Zant, Herre S. J. van der; Steele, Gary A. [Kavli Institute of Nanoscience, Delft University of Technology, Lorentzweg 1, 2628CJ Delft (Netherlands)

    2015-08-03

    We demonstrate a tunnel diode composed of a vertical MoS{sub 2}/SiO{sub 2}/Si heterostructure. A MoS{sub 2} flake consisting four areas of different thicknesses functions as a gate terminal of a silicon field-effect transistor. A thin gate oxide allows tunneling current to flow between the n-type MoS{sub 2} layers and p-type Si channel. The tunneling-current characteristics show multiple negative differential resistance features, which we interpret as an indication of different conduction-band alignments of the MoS{sub 2} layers of different thicknesses. The presented tunnel device can be also used as a hybrid-heterostructure device combining the advantages of two-dimensional materials with those of silicon transistors.

  6. Attractive electron correlation in wide band gap semiconductors by electron-photon interaction

    International Nuclear Information System (INIS)

    Takeda, Hiroyuki; Yoshino, Katsumi

    2004-01-01

    We theoretically demonstrate attractive electron correlation in wide band gap semiconductors by electron-photon interaction. At low temperature, wavevectors of electromagnetic waves absorbed in wide band gap semiconductors cannot be neglected for wavevectors of electron waves; that is, electromagnetic waves affect the movements of electrons. In particular, attractive interaction occurs between two electrons when one electron changes from a valence band to a conduction band and the other electron changes from a conduction band to a valence band

  7. Measurement of core level and band offsets at the interface of ITO/Hg_3In_2Te_6(1 1 0) heterojunction by synchrotron radiation photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Li, Yapeng; Fu, Li; Sun, Jie; Ibrahim, Kurash; Wang, Jia-ou

    2016-01-01

    Highlights: • The valence band maximum of ITO film and MIT were measured to be 1.6 eV and 0.6 eV, respectively. • The concentration of In element presented a trend of increasing first and then decreasing from MIT to ITO. • The valence band offsets of the ITO/MIT(1 1 0) heterojunction was confirmed to be a type-II band alignment phenomenon. - Abstract: The Indium Tin Oxide (ITO) film was deposited on the surface of Hg_3In_2Te_6 (short for MIT) (1 1 0) for the fabrication of ITO/MIT(1 1 0) heterojunction by using the pulsed laser deposition method. In situ X-ray photoelectron spectroscopy was utilized to examine the band offsets and core level of ITO/MIT(1 1 0) heterojunctions. The result showed that the valence band maximum of ITO films and MIT(1 1 0) were 1.6 eV and 0.6 eV, respectively. Meanwhile, it was found that the binding energy of Te 3d, Sn 3d and Hg 4f remained unchanged during the ITO deposition process. However, the binding energy of O 1s and In 3d_5_/_2 increased about 0.3 eV and 0.2 eV, respectively, with the thickness increasing of ITO film from 3.5 nm to 5 nm. This may due to the elements diffusion at the interface region during the film growing process. According to the core level spectrum, it can be speculated that no significant chemical reaction occurred at the interface of ITO/MIT(1 1 0). In addition, the valence band offset of the ITO/MIT(1 1 0) heterojunction can be calculated to be −1 ± 0.15 eV by the means of the photoelectron spectroscopy methods. The conduction band offset is deduced to be −3.96 ± 0.15 eV from the known valence band offset value, indicating that the band offsets of ITO/MIT(1 1 0) heterojunction is a type-II band alignment.

  8. Measurement of core level and band offsets at the interface of ITO/Hg{sub 3}In{sub 2}Te{sub 6}(1 1 0) heterojunction by synchrotron radiation photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yapeng [State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an 710072 (China); Fu, Li, E-mail: fuli@nwpu.edu.cn [State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an 710072 (China); Sun, Jie [State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an 710072 (China); Ibrahim, Kurash; Wang, Jia-ou [Laboratory of Synchrotron Radiation, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100039 (China)

    2016-02-15

    Highlights: • The valence band maximum of ITO film and MIT were measured to be 1.6 eV and 0.6 eV, respectively. • The concentration of In element presented a trend of increasing first and then decreasing from MIT to ITO. • The valence band offsets of the ITO/MIT(1 1 0) heterojunction was confirmed to be a type-II band alignment phenomenon. - Abstract: The Indium Tin Oxide (ITO) film was deposited on the surface of Hg{sub 3}In{sub 2}Te{sub 6} (short for MIT) (1 1 0) for the fabrication of ITO/MIT(1 1 0) heterojunction by using the pulsed laser deposition method. In situ X-ray photoelectron spectroscopy was utilized to examine the band offsets and core level of ITO/MIT(1 1 0) heterojunctions. The result showed that the valence band maximum of ITO films and MIT(1 1 0) were 1.6 eV and 0.6 eV, respectively. Meanwhile, it was found that the binding energy of Te 3d, Sn 3d and Hg 4f remained unchanged during the ITO deposition process. However, the binding energy of O 1s and In 3d{sub 5/2} increased about 0.3 eV and 0.2 eV, respectively, with the thickness increasing of ITO film from 3.5 nm to 5 nm. This may due to the elements diffusion at the interface region during the film growing process. According to the core level spectrum, it can be speculated that no significant chemical reaction occurred at the interface of ITO/MIT(1 1 0). In addition, the valence band offset of the ITO/MIT(1 1 0) heterojunction can be calculated to be −1 ± 0.15 eV by the means of the photoelectron spectroscopy methods. The conduction band offset is deduced to be −3.96 ± 0.15 eV from the known valence band offset value, indicating that the band offsets of ITO/MIT(1 1 0) heterojunction is a type-II band alignment.

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

    Science.gov (United States)

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

    2018-05-01

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

  10. Photoemission from valence bands of transition metal-phthalocyanines

    International Nuclear Information System (INIS)

    Shang, Ming-Hui; Nagaosa, Mayumi; Nagamatsu, Shin-ichi; Hosoumi, Shunsuke; Kera, Satoshi; Fujikawa, Takashi; Ueno, Nobuo

    2011-01-01

    Research highlights: → The HOMO mainly comes from the carbon atoms of Pc rings and the central metal atoms almost have no contribution on the highest occupied molecular orbital (HOMO: a 1u ) distribution of CoPc as well as NiPc. → Influence by central metal atom on the photoemission intensities from the HOMO of two single molecule systems is negligible for the major. → The modification of the distribution for π-orbital upon adsorption as well as the scattering effects of the central metal on the photoemission intensities are negligible for the major. - Abstract: Angular dependencies of ultraviolet photoelectron spectrum of transition metal-phthalocyanines (TM-Pcs), NiPc and CoPc, have been studied by using multiple-scattering theory to explore the electronic structure of the organometallic complexes influenced by central metal atom. The calculated angular distributions of photoelectrons for the highest occupied molecular orbital (HOMO: a 1u ) from the two single systems are nearly the same and represent well the experimental results obtained for the well-ordered monolayer on the highly oriented pyrolytic graphite substrate. The central metal atoms almost have no contribution on the HOMO distribution, which mainly comes from the carbon atoms of Pc ring. Moreover, the modification of the distribution for π orbital upon adsorption as well as the scattering effects of the central metal on the photoemission intensities are negligible for the major.

  11. Heterojunctions of mixed phase TiO2 nanotubes with Cu, CuPt, and Pt nanoparticles: interfacial band alignment and visible light photoelectrochemical activity

    Science.gov (United States)

    Kar, Piyush; Zhang, Yun; Mahdi, Najia; Thakur, Ujwal K.; Wiltshire, Benjamin D.; Kisslinger, Ryan; Shankar, Karthik

    2018-01-01

    Anodically formed, vertically oriented, self-organized cylindrical TiO2 nanotube arrays composed of the anatase phase undergo an interesting morphological and phase transition upon flame annealing to square-shaped nanotubes composed of both anatase and rutile phases. This is the first report on heterojunctions consisting of metal nanoparticles (NPs) deposited on square-shaped TiO2 nanotube arrays (STNAs) with mixed rutile and anatase phase content. A simple photochemical deposition process was used to form Cu, CuPt, and Pt NPs on the STNAs, and an enhancement in the visible light photoelectrochemical water splitting performance for the NP-decorated STNAs was observed over the bare STNAs. Under narrow band illumination by visible photons at 410 nm and 505 nm, Cu NP-decorated STNAs performed the best, producing photocurrents 80% higher and 50 times higher than bare STNAs, respectively. Probing the energy level structure at the NP-STNA interface using ultraviolet photoelectron spectroscopy revealed Schottky barrier formation in the NP-decorated STNAs, which assists in separating the photogenerated charge carriers, as also confirmed by longer charge carrier lifetimes in NP-decorated STNAs. While all the NP-decorated STNAs showed enhanced visible light absorption compared to the bare STNAs, only the Cu NPs exhibited a clear plasmonic behavior with an extinction cross section that peaked at 550 nm.

  12. Molecular invariants: atomic group valence

    International Nuclear Information System (INIS)

    Mundim, K.C.; Giambiagi, M.; Giambiagi, M.S. de.

    1988-01-01

    Molecular invariants may be deduced in a very compact way through Grassman algebra. In this work, a generalized valence is defined for an atomic group; it reduces to the Known expressions for the case of an atom in a molecule. It is the same of the correlations between the fluctions of the atomic charges qc and qd (C belongs to the group and D does not) around their average values. Numerical results agree with chemical expectation. (author) [pt

  13. THE VALENCE OF CORPUSCULAR PROTEINS.

    Science.gov (United States)

    Gorin, M H; Mover, L S

    1942-07-20

    BY THE USE OF TWO EXTREME MODELS: a hydrated sphere and an unhydrated rod the valence (net charge) of corpuscular proteins can be successfully calculated from electric mobility data by the Debye-Hückel theory (modified to include the effect of the ions in the ion atmosphere) in conjunction with the electrophoretic theory of Henry. As pointed out by Abramson, this permits a comparison with values for the valence from titration data. Electrometric titration measurements of serum albumin B (Kekwick) have been determined at several ionic strengths. These results, together with the available data in the literature for serum albumin B, egg albumin, and beta-lactoglobulin have been used to compare values for the valence calculated from measurements of titration, electrophoresis, and membrane potentials. The results indicate that the usual interpretation of titration curves is open to serious question. By extrapolation of the titration data to zero ionic strength and protein concentration, there results an "intrinsic" net charge curve describing the binding of H(+) (OH(-)) ion alone. This curve agrees closely, in each case, with values of the valence calculated from mobility data (which in turn are in close accord with those estimated from membrane potential measurements). The experimental titration curves in the presence of appreciable quantities of ions and protein deviate widely from the ideal curve. It is suggested that, under these conditions, binding of undissociated acid (base) leads to erroneous values for the net charge. This binding would not affect the electrophoretic mobility. Values of the net charge obtained by the two extreme models from electrophoretic data are in agreement within 15 to 20 per cent. The agreement between the cylindrical model and the titration data is somewhat better in each case than with the sphere; i.e., this comparison enables a choice to be made between asymmetry and hydration in the interpretation of results from sedimentation and

  14. Tunable Band Gap and Conductivity Type of ZnSe/Si Core-Shell Nanowire Heterostructures

    Directory of Open Access Journals (Sweden)

    Yijie Zeng

    2014-10-01

    Full Text Available The electronic properties of zincblende ZnSe/Si core-shell nanowires (NWs with a diameter of 1.1–2.8 nm are calculated by means of the first principle calculation. Band gaps of both ZnSe-core/Si-shell and Si-core/ZnSe-shell NWs are much smaller than those of pure ZnSe or Si NWs. Band alignment analysis reveals that the small band gaps of ZnSe/Si core-shell NWs are caused by the interface state. Fixing the ZnSe core size and enlarging the Si shell would turn the NWs from intrinsic to p-type, then to metallic. However, Fixing the Si core and enlarging the ZnSe shell would not change the band gap significantly. The partial charge distribution diagram shows that the conduction band maximum (CBM is confined in Si, while the valence band maximum (VBM is mainly distributed around the interface. Our findings also show that the band gap and conductivity type of ZnSe/Si core-shell NWs can be tuned by the concentration and diameter of the core-shell material, respectively.

  15. Growth of Cu2O on Ga-doped ZnO and their interface energy alignment for thin film solar cells

    International Nuclear Information System (INIS)

    Wong, L. M.; Chiam, S. Y.; Wang, S. J.; Pan, J. S.; Huang, J. Q.; Chim, W. K.

    2010-01-01

    Cu 2 O thin films are deposited by direct current reactive magnetron sputtering on borofloat glass and indium tin oxide (ITO) coated glass at room temperature. The effect of oxygen partial pressure on the structures and properties of Cu 2 O thin films are investigated. We show that oxygen partial pressure is a crucial parameter in achieving pure phases of CuO and Cu 2 O. Based on this finding, we fabricate heterojunctions of p-type Cu 2 O with n-type gallium doped ZnO (GZO) on ITO coated glass substrates by pulsed laser deposition for GZO thin films. The energy band alignment for thin films of Cu 2 O/GZO on ITO glass is characterized using high-resolution x-ray photoelectron spectroscopy. The energy band alignment for the Cu 2 O/GZO heterojunctions is determined to be type II with a valence band offset of 2.82 eV and shows negligible effects of variation with gallium doping. The higher conduction band of the Cu 2 O relative to that of GZO in the obtained band alignment shows that the heterojunctions are suitable for solar cell application based on energy levels consideration.

  16. Energy Level Alignment at Aqueous GaN and ZnO Interfaces

    Science.gov (United States)

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

    2014-03-01

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

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

    KAUST Repository

    Mitrovic, Ivona Z.

    2011-07-01

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

  18. Valence configurations in 214Rn

    International Nuclear Information System (INIS)

    Dracoulis, G.D.; Byrne, A.P.; Stuchbery, A.E.; Bark, R.A.; Poletti, A.R.

    1987-01-01

    Excited states of 214 Rn, up to spins of ≅ 24 ℎ have been studied using γ-ray and electron spectroscopy following the 208 Pb( 9 Be,3n) 214 Rn reaction. The level scheme (which differs substantially from earlier work) is compared with the results of a semi-empirical shell model calculation. The availability of high-spin orbitals for the four valence protons and two valence neutrons, and the effect of the attractive proton-neutron interaction, leads to the prediction of high-spin states at an unusually low excitation energy. Experimentally, the high level density leads to difficulties in the level scheme assignments at high spin. Nevertheless, configuration assignments, supported by transition strengths deduced from the measured lifetimes (in the nanosecond region) are suggested for the main yrast states. The decay properties also suggest that configuration mixing is important. The possibility of a gradual transition to octupole deformation, implied by the decay properties of the 11 - and 10 + yrast states is also discussed. (orig.)

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

    Science.gov (United States)

    Dwivedi, G. D.; Joshi, Amish G.; Kumar, Shiv; Chou, H.; Yang, K. S.; Jhong, D. J.; Chan, W. L.; Ghosh, A. K.; Chatterjee, Sandip

    2016-04-01

    X-ray circular magnetic dichroism (XMCD), X-ray photoemission spectroscopy (XPS), and ultraviolet photoemission spectroscopy (UPS) techniques were used to study the electronic structure of nanocrystalline (La0.6Pr0.4)0.65Ca0.35MnO3 near Fermi-level. XMCD results indicate that Mn3+ and Mn4+ spins are aligned parallel to each other at 20 K. The low M-H hysteresis curve measured at 5 K confirms ferromagnetic ordering in the (La0.6Pr0.4)0.65Ca0.35MnO3 system. The low temperature valence band XPS indicates that coupling between Mn3d and O2p is enhanced and the electronic states near Fermi-level have been suppressed below TC. The valence band UPS also confirms the suppression of electronic states near Fermi-level below Curie temperature. UPS near Fermi-edge shows that the electronic states are almost absent below 0.5 eV (at 300 K) and 1 eV (at 115 K). This absence clearly demonstrates the existence of a wide band-gap in the system since, for hole-doped semiconductors, the Fermi-level resides just above the valence band maximum.

  20. Beyond Alignment

    DEFF Research Database (Denmark)

    Beyond Alignment: Applying Systems Thinking to Architecting Enterprises is a comprehensive reader about how enterprises can apply systems thinking in their enterprise architecture practice, for business transformation and for strategic execution. The book's contributors find that systems thinking...

  1. Band structure and optical properties of sinusoidal superlattices: ZnSe1-xTex

    International Nuclear Information System (INIS)

    Yang, G.; Lee, S.; Furdyna, J. K.

    2000-01-01

    This paper examines the band structure and optical selection rules in superlattices with a sinusoidal potential profile. The analysis is motivated by the recent successful fabrication of high quality ZnSe 1-x Te x superlattices in which the composition x varies sinusoidally along the growth direction. Although the band alignment in the ZnSe 1-x Te x sinusoidal superlattices is staggered (type II), they exhibit unexpectedly strong photoluminescence, thus suggesting interesting optical behavior. The band structure of such sinusoidal superlattices is formulated in terms of the nearly-free-electron (NFE) approximation, in which the superlattice potential is treated as a perturbation. The resulting band structure is unique, characterized by a single minigap separating two wide, free-electron-like subbands for both electrons and holes. Interband selection rules are derived for optical transitions involving conduction and valence-band states at the superlattice Brillouin-zone center, and at the zone edge. A number of transitions are predicted due to wave-function mixing of different subband states. It should be noted that the zone-center and zone-edge transitions are especially easy to distinguish in these superlattices because of the large width of the respective subbands. The results of the NFE approximation are shown to hold surprisingly well over a wide range of parameters, particularly when the period of the superlattice is short. (c) 2000 The American Physical Society

  2. A study of the valence shell electronic states of s-triazine by photoabsorption spectroscopy and ab initio calculations

    DEFF Research Database (Denmark)

    Holland, D.M.P.; Shaw, D.A.; Stener, Mauro

    2016-01-01

    absorption bands due to excitation from the 1e00 or 6e0 orbitals. The interpretation of the experimental spectrum has been guided by transition energies and oscillator strengths, for Rydberg and valence states, calculated with the time-dependent version of density functional theory and with the coupled...... cluster linear response approach. The theoretical studies indicate that Rydberg/Rydberg and Rydberg/valence mixing is important....

  3. Valence holes observed in nanodiamonds dispersed in water

    Science.gov (United States)

    Petit, Tristan; Pflüger, Mika; Tolksdorf, Daniel; Xiao, Jie; Aziz, Emad F.

    2015-02-01

    Colloidal dispersion is essential for most nanodiamond applications, but its influence on nanodiamond electronic properties remains unknown. Here we have probed the electronic structure of oxidized detonation nanodiamonds dispersed in water by using soft X-ray absorption and emission spectroscopies at the carbon and oxygen K edges. Upon dispersion in water, the π* transitions from sp2-hybridized carbon disappear, and holes in the valence band are observed.Colloidal dispersion is essential for most nanodiamond applications, but its influence on nanodiamond electronic properties remains unknown. Here we have probed the electronic structure of oxidized detonation nanodiamonds dispersed in water by using soft X-ray absorption and emission spectroscopies at the carbon and oxygen K edges. Upon dispersion in water, the π* transitions from sp2-hybridized carbon disappear, and holes in the valence band are observed. Electronic supplementary information (ESI) available: Experimental methods, details on XAS/XES normalization and background correction procedures. See DOI: 10.1039/c4nr06639a

  4. Simultaneous conditioning of valence and arousal.

    Science.gov (United States)

    Gawronski, Bertram; Mitchell, Derek G V

    2014-01-01

    Evaluative conditioning (EC) refers to the change in the valence of a conditioned stimulus (CS) due to its pairing with a positive or negative unconditioned stimulus (US). To the extent that core affect can be characterised by the two dimensions of valence and arousal, EC has important implications for the origin of affective responses. However, the distinction between valence and arousal is rarely considered in research on EC or conditioned responses more generally. Measuring the subjective feelings elicited by a CS, the results from two experiments showed that (1) repeated pairings of a CS with a positive or negative US of either high or low arousal led to corresponding changes in both CS valence and CS arousal, (2) changes in CS arousal, but not changes in CS valence, were significantly related to recollective memory for CS-US pairings, (3) subsequent presentations of the CS without the US reduced the conditioned valence of the CS, with conditioned arousal being less susceptible to extinction and (4) EC effects were stronger for high arousal than low arousal USs. The results indicate that the conditioning of affective responses can occur simultaneously along two independent dimensions, supporting evidence in related areas that calls for a consideration of both valence and arousal. Implications for research on EC and the acquisition of emotional dispositions are discussed.

  5. Controllable growth and characterization of highly aligned ZnO nanocolumnar thin films

    Energy Technology Data Exchange (ETDEWEB)

    Onuk, Zuhal [Department of Physics, Recep Tayyip Erdogan University, Rize, 53100 (Turkey); Department of Materials Science and Engineering, University of Delaware, Newark, DE, 19716 (United States); Rujisamphan, Nopporn [Nanoscience and Nanotechnology Graduate Program, Faculty of Science, King Mongkut’s University of Technology Thonburi, 10140, Bangkok (Thailand); Theoretical and Computational Science Center (TaCS), Faculty of Science, King Mongkut’s University of Technology Thonburi, Bangkok 10140 (Thailand); Murray, Roy [Department of Physics and Astronomy, University of Delaware, Newark, DE, 19716 (United States); Bah, Mohamed [Department of Materials Science and Engineering, University of Delaware, Newark, DE, 19716 (United States); Tomakin, Murat [Department of Physics, Recep Tayyip Erdogan University, Rize, 53100 (Turkey); Shah, S.Ismat, E-mail: ismat@udel.edu [Department of Materials Science and Engineering, University of Delaware, Newark, DE, 19716 (United States); Department of Physics and Astronomy, University of Delaware, Newark, DE, 19716 (United States)

    2017-02-28

    Graphical abstract: Scanning electron micrographs of the top view surfaces (left column) and cross sections of sputtered ZnO thin films prepared at various Ar:O{sub 2} ratios: (a) and (b) 10:0, (c) and (d) 7.5:2.5, (e) and (f) 5:5, (g) and (h) 2.5:7.5. - Highlights: • Nanocolumnar ZnO films were prepared by controlling the argon-oxygen sputtering gas ratio. • Oxygen partial pressure affects the band gap alignment of the ZnO films. • Optical transmission spectroscopy and XPS were used to study band gap shifts. - Abstract: We investigated the effects of growth conditions during magnetron sputtering on the structural, morphological, and optical properties of nanostructured ZnO thin films. Undoped ZnO thin films are deposited onto p-type Si (100) and corning 7059 glass substrates by RF magnetron sputtering using a ZnO target in combination with various Ar-O{sub 2} sputtering gas mixtures at room temperature. The effect of the partial pressure of oxygen on the morphology of ZnO thin film structure and band alignment were investigated. Thickness, and therefore the growth rate of the samples measured from the cross-sectional SEM micrographs, is found to be strongly correlated with the oxygen partial pressure in the sputtering chamber. The optical transmittance spectrometry results show that the absorption edge shifts towards the longer wavelength at higher oxygen partial pressure. X-ray photoelectron spectroscopy (XPS) used for determining the surface chemical structure and valence band offsets show that conduction band can be controlled by changing the sputtering atmosphere.

  6. Valence instabilities in cerium intermetallics

    International Nuclear Information System (INIS)

    Dijkman, W.H.

    1982-01-01

    The primary purpose of this investigation was to study the magnetic behaviour of cerium in intermetallic compounds, that show an IV behaviour, e.g. CeSn 3 . In the progress of the investigations, it became of interest to study the effect of changes in the lattice of the IV compound by substituting La or Y for Ce, thus constituting the Cesub(1-x)Lasub(x)Sn 3 and Cesub(1-x)Ysub(x)Sn 3 quasibinary systems. A second purpose was to examine the possibility of introducing instabilities in the valency of a trivalent intermetallic cerium compound: CeIn 3 , also by La and Y-substitutions in the lattice. Measurements on the resulting Cesub(1-x)Lasub(x)In 3 and Cesub(1-x)Ysub(x)In 3 quasibinaries are described. A third purpose was to study the (gradual) transition from a trivalent cerium compound into an IV cerium compound. This was done by examining the magnetic properties of the CeInsub(x)Snsub(3-x) and CePbsub(x)Snsub(3-x) systems. Finally a new possibility was investigated: that of the occurrence of IV behaviour in CeSi 2 , CeSi, and in CeGa 2 . (Auth.)

  7. Valence evaluation with approaching or withdrawing cues: directly testing valence-arousal conflict theory.

    Science.gov (United States)

    Wang, Yan Mei; Li, Ting; Li, Lin

    2017-07-19

    The valence-arousal conflict theory assumes that both valence and arousal will trigger approaching or withdrawing tendencies. It also predicts that the speed of processing emotional stimuli will depend on whether valence and arousal trigger conflicting or congruent motivational tendencies. However, most previous studies have provided evidence of the interaction between valence and arousal only, and have not provided direct proof of the interactive links between valence, arousal and motivational tendencies. The present study provides direct evidence for the relationship between approach-withdrawal tendencies and the valence-arousal conflict. In an empirical test, participants were instructed to judge the valence of emotional words after visual-spatial cues that appeared to be either approaching or withdrawing from participants. A three-way interaction (valence, arousal, and approach-withdrawal tendency) was observed such that the response time was shorter if participants responded to a negative high-arousal stimulus after a withdrawing cue, or to a positive low-arousal stimulus after an approaching cue. These findings suggest that the approach-withdrawal tendency indeed plays a crucial role in valence-arousal conflict, and that the effect depends on the congruency of valence, arousal and tendency at an early stage of processing.

  8. Ab initio valence calculations in chemistry

    CERN Document Server

    Cook, D B

    1974-01-01

    Ab Initio Valence Calculations in Chemistry describes the theory and practice of ab initio valence calculations in chemistry and applies the ideas to a specific example, linear BeH2. Topics covered include the Schrödinger equation and the orbital approximation to atomic orbitals; molecular orbital and valence bond methods; practical molecular wave functions; and molecular integrals. Open shell systems, molecular symmetry, and localized descriptions of electronic structure are also discussed. This book is comprised of 13 chapters and begins by introducing the reader to the use of the Schrödinge

  9. On triangle meshes with valence dominant vertices

    KAUST Repository

    Morvan, Jean-Marie

    2018-01-01

    We study triangulations $\\cal T$ defined on a closed disc $X$ satisfying the following condition: In the interior of $X$, the valence of all vertices of $\\cal T$ except one of them (the irregular vertex) is $6$. By using a flat singular Riemannian metric adapted to $\\cal T$, we prove a uniqueness theorem when the valence of the irregular vertex is not a multiple of $6$. Moreover, for a given integer $k >1$, we exhibit non isomorphic triangulations on $X$ with the same boundary, and with a unique irregular vertex whose valence is $6k$.

  10. On triangle meshes with valence dominant vertices

    KAUST Repository

    Morvan, Jean-Marie

    2018-02-16

    We study triangulations $\\\\cal T$ defined on a closed disc $X$ satisfying the following condition: In the interior of $X$, the valence of all vertices of $\\\\cal T$ except one of them (the irregular vertex) is $6$. By using a flat singular Riemannian metric adapted to $\\\\cal T$, we prove a uniqueness theorem when the valence of the irregular vertex is not a multiple of $6$. Moreover, for a given integer $k >1$, we exhibit non isomorphic triangulations on $X$ with the same boundary, and with a unique irregular vertex whose valence is $6k$.

  11. Microscopic analysis of the valence band and impurity band theories of (Ga,Mn)As

    Czech Academy of Sciences Publication Activity Database

    Mašek, Jan; Máca, František; Kudrnovský, Josef; Makarovský, O.; Eaves, L.; Campion, R. P.; Edmonds, K. W.; Rushforth, A.W.; Foxon, C. T.; Gallagher, B. L.; Novák, Vít; Sinova, Jairo; Jungwirth, Tomáš

    2010-01-01

    Roč. 105, č. 22 (2010), 227202/1-227202/4 ISSN 0031-9007 R&D Projects: GA ČR GA202/07/0456; GA MŠk LC510; GA AV ČR KAN400100652 EU Projects: European Commission(XE) 215368 - SemiSpinNet; European Commission(XE) 214499 - NAMASTE Grant - others:AV ČR(CZ) AP0801 Program:Akademická prémie - Praemium Academiae Institutional research plan: CEZ:AV0Z10100520 Keywords : gallium arsenide * semiconductors Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.621, year: 2010

  12. Valence nucleons in self-consistent fields

    International Nuclear Information System (INIS)

    Di Toro, M.; Lomnitz-Adler, J.

    1978-01-01

    An iterative approach to determine directly the best Hartree-Fock one-body density rho is extended by expressing rho in terms of a core and a valence part and allowing for general crossings of occupied and unoccupied levels in the valence part. Results are shown for 152 Sm and a microscopic analysis of the core structure of deformed light nuclei is carried out. (author)

  13. Electronic structure study of wide band gap magnetic semiconductor (La{sub 0.6}Pr{sub 0.4}){sub 0.65}Ca{sub 0.35}MnO{sub 3} nanocrystals in paramagnetic and ferromagnetic phases

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-04-25

    X-ray circular magnetic dichroism (XMCD), X-ray photoemission spectroscopy (XPS), and ultraviolet photoemission spectroscopy (UPS) techniques were used to study the electronic structure of nanocrystalline (La{sub 0.6}Pr{sub 0.4}){sub 0.65}Ca{sub 0.35}MnO{sub 3} near Fermi-level. XMCD results indicate that Mn{sup 3+} and Mn{sup 4+} spins are aligned parallel to each other at 20 K. The low M-H hysteresis curve measured at 5 K confirms ferromagnetic ordering in the (La{sub 0.6}Pr{sub 0.4}){sub 0.65}Ca{sub 0.35}MnO{sub 3} system. The low temperature valence band XPS indicates that coupling between Mn3d and O2p is enhanced and the electronic states near Fermi-level have been suppressed below T{sub C}. The valence band UPS also confirms the suppression of electronic states near Fermi-level below Curie temperature. UPS near Fermi-edge shows that the electronic states are almost absent below 0.5 eV (at 300 K) and 1 eV (at 115 K). This absence clearly demonstrates the existence of a wide band-gap in the system since, for hole-doped semiconductors, the Fermi-level resides just above the valence band maximum.

  14. Chromatic bifocus alignment system for SR stepper

    International Nuclear Information System (INIS)

    Miyatake, Tsutomu

    1991-01-01

    A new alignment system developed for synchrotron radiation (SR) X-ray stepper is described. The alignment system has three key elements as follows. The first is a chromatic bifocus optics which observe high contrast bright images of alignment marks printed on a mask and a wafer. The second is broad band light illumination to observe the wafer alignment mark images which is unaffected by resist film coated on a wafer. The third is a new correlation function which is used in measuring of displacement between a mask and a wafer. The alignment system has achieved alignment accuracy on the order of 0.01 μm. The experimental results of this alignment system are discussed in this paper. (author)

  15. Band-Bending of Ga-Polar GaN Interfaced with Al2O3 through Ultraviolet/Ozone Treatment.

    Science.gov (United States)

    Kim, Kwangeun; Ryu, Jae Ha; Kim, Jisoo; Cho, Sang June; Liu, Dong; Park, Jeongpil; Lee, In-Kyu; Moody, Baxter; Zhou, Weidong; Albrecht, John; Ma, Zhenqiang

    2017-05-24

    Understanding the band bending at the interface of GaN/dielectric under different surface treatment conditions is critically important for device design, device performance, and device reliability. The effects of ultraviolet/ozone (UV/O 3 ) treatment of the GaN surface on the energy band bending of atomic-layer-deposition (ALD) Al 2 O 3 coated Ga-polar GaN were studied. The UV/O 3 treatment and post-ALD anneal can be used to effectively vary the band bending, the valence band offset, conduction band offset, and the interface dipole at the Al 2 O 3 /GaN interfaces. The UV/O 3 treatment increases the surface energy of the Ga-polar GaN, improves the uniformity of Al 2 O 3 deposition, and changes the amount of trapped charges in the ALD layer. The positively charged surface states formed by the UV/O 3 treatment-induced surface factors externally screen the effect of polarization charges in the GaN, in effect, determining the eventual energy band bending at the Al 2 O 3 /GaN interfaces. An optimal UV/O 3 treatment condition also exists for realizing the "best" interface conditions. The study of UV/O 3 treatment effect on the band alignments at the dielectric/III-nitride interfaces will be valuable for applications of transistors, light-emitting diodes, and photovoltaics.

  16. [Emotional valence of words in schizophrenia].

    Science.gov (United States)

    Jalenques, I; Enjolras, J; Izaute, M

    2013-06-01

    Emotion recognition is a domain in which deficits have been reported in schizophrenia. A number of emotion classification studies have indicated that emotion processing deficits in schizophrenia are more pronounced for negative affects. Given the difficulty of developing material suitable for the study of these emotional deficits, it would be interesting to examine whether patients suffering from schizophrenia are responsive to positively and negatively charged emotion-related words that could be used within the context of remediation strategies. The emotional perception of words was examined in a clinical experiment involving schizophrenia patients. This emotional perception was expressed by the patients in terms of the valence associated with the words. In the present study, we investigated whether schizophrenia patients would assign the same negative and positive valences to words as healthy individuals. Twenty volunteer, clinically stable, outpatients from the Psychiatric Service of the University Hospital of Clermont-Ferrand were recruited. Diagnoses were based on DSM-IV criteria. Global psychiatric symptoms were assessed using the Positive and Negative Symptoms Scale (PANSS). The patients had to evaluate the emotional valence of a set of 300 words on a 5-point scale ranging from "very unpleasant" to "very pleasant". . The collected results were compared with those obtained by Bonin et al. (2003) [13] from 97 University students. Correlational analyses of the two studies revealed that the emotional valences were highly correlated, i.e. the schizophrenia patients estimated very similar emotional valences. More precisely, it was possible to examine three separate sets of 100 words each (positive words, neutral words and negative words). The positive words that were evaluated were the more positive words from the norms collected by Bonin et al. (2003) [13], and the negative words were the more negative examples taken from these norms. The neutral words

  17. Band structure of superlattice with δ-like potential

    International Nuclear Information System (INIS)

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

    1993-08-01

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

  18. AlxGa1--xN/GaN band offsets determined by deep-level emission

    International Nuclear Information System (INIS)

    Hang, D. R.; Chen, C. H.; Chen, Y. F.; Jiang, H. X.; Lin, J. Y.

    2001-01-01

    We present studies of the compositional dependence of the optical properties of Al x Ga 1-x N(0 x Ga 1-x N. As aluminum concentration increases, the color of the band changes from yellow (2.2 eV) to blue (2.6 eV). The shift was less than that of the band gap. Together with previously published studies, it implies that the deep acceptor level is pinned to a common reference level to both materials, thus the deep level responsible for the yellow emission is used as a common reference level to determine the band alignment in Al x Ga 1-x N/GaN heterojunctions. Combining with the near-band-edge modulation spectra, the estimated ratio of conduction-to-valence band discontinuity is 65:35. Our results are close to the values obtained from PL measurements on Al 0.14 Ga 0.86 N/GaN quantum wells and those calculated by linear muffin-tin orbital method and linearized augmented plane wave method. copyright 2001 American Institute of Physics

  19. Emotions and false memories: valence or arousal?

    Science.gov (United States)

    Corson, Yves; Verrier, Nadège

    2007-03-01

    The effects of mood on false memories have not been studied systematically until recently. Some results seem to indicate that negative mood may reduce false recall and thus suggest an influence of emotional valence on false memory. The present research tested the effects of both valence and arousal on recall and recognition and indicates that the effect is actually due to arousal. In fact, whether participants' mood is positive, negative, or neutral, false memories are significantly more frequent under conditions of high arousal than under conditions of low arousal.

  20. Valence electronic properties of porphyrin derivatives.

    Science.gov (United States)

    Stenuit, G; Castellarin-Cudia, C; Plekan, O; Feyer, V; Prince, K C; Goldoni, A; Umari, P

    2010-09-28

    We present a combined experimental and theoretical investigation of the valence electronic structure of porphyrin-derived molecules. The valence photoemission spectra of the free-base tetraphenylporphyrin and of the octaethylporphyrin molecule were measured using synchrotron radiation and compared with theoretical spectra calculated using the GW method and the density-functional method within the generalized gradient approximation. Only the GW results could reproduce the experimental data. We found that the contribution to the orbital energies due to electronic correlations has the same linear behavior in both molecules, with larger deviations in the vicinity of the HOMO level. This shows the importance of adequate treatment of electronic correlations in these organic systems.

  1. Breakdown of rotational symmetry at semiconductor interfaces; a microscopic description of valence subband mixing

    International Nuclear Information System (INIS)

    Cortez, S.; Krebs, O.; Voisin, P.

    2000-01-01

    The recently discovered in-plane optical anisotropy of [001]-grown quantum wells offers a new theoretical and experimental insight into the electronic properties of semiconductor interfaces. We first discuss the coupling of X and Y valence bands due to the breakdown of rotation inversion symmetry at a semiconductor hetero-interface, with special attention to its dependence on effective parameters such as valence band offset. The intracell localization of Bloch functions is explained from simple theoretical arguments and evaluated numerically from a pseudo-potential microscopic model. The role of envelope functions is considered, and we discuss the specific case of non-common atom interfaces. Experimental results and applications to interface characterization are presented. These calculations give a microscopic justification, and establish the limits of the heuristic 'H BF ' model. (author)

  2. Photoionization cross-sections of ground and excited valence levels of actinides

    Directory of Open Access Journals (Sweden)

    Yarzhemsky Victor G.

    2012-01-01

    Full Text Available The photoionization cross-sections of ground and excited atomic states of actinide atoms were calculated by the Dirac-Fock-Slater method for two excitation energies of X-ray radiation (1253.6 eV and 1486.6 eV. These data are required for calculations of intensities of X-ray photoelectron spectra of actinide compound valence bands and interpretation of experimental spectra.

  3. Double-valence-fluctuating molecules and superconductivity

    International Nuclear Information System (INIS)

    Hirsch, J.E.; Scalapino, D.J.

    1985-01-01

    We discuss the possibility of ''double-valence-fluctuating'' molecules, having two ground-state configurations differing by two electrons. We propose a possible realization of such a molecule, and experimental ways to look for it. We argue that a weakly coupled array of such molecules should give rise to a strong-coupling Shafroth-Blatt-Butler superconductor, with a high transition temperature

  4. NEVER forget: negative emotional valence enhances recapitulation.

    Science.gov (United States)

    Bowen, Holly J; Kark, Sarah M; Kensinger, Elizabeth A

    2017-07-10

    A hallmark feature of episodic memory is that of "mental time travel," whereby an individual feels they have returned to a prior moment in time. Cognitive and behavioral neuroscience methods have revealed a neurobiological counterpart: Successful retrieval often is associated with reactivation of a prior brain state. We review the emerging literature on memory reactivation and recapitulation, and we describe evidence for the effects of emotion on these processes. Based on this review, we propose a new model: Negative Emotional Valence Enhances Recapitulation (NEVER). This model diverges from existing models of emotional memory in three key ways. First, it underscores the effects of emotion during retrieval. Second, it stresses the importance of sensory processing to emotional memory. Third, it emphasizes how emotional valence - whether an event is negative or positive - affects the way that information is remembered. The model specifically proposes that, as compared to positive events, negative events both trigger increased encoding of sensory detail and elicit a closer resemblance between the sensory encoding signature and the sensory retrieval signature. The model also proposes that negative valence enhances the reactivation and storage of sensory details over offline periods, leading to a greater divergence between the sensory recapitulation of negative and positive memories over time. Importantly, the model proposes that these valence-based differences occur even when events are equated for arousal, thus rendering an exclusively arousal-based theory of emotional memory insufficient. We conclude by discussing implications of the model and suggesting directions for future research to test the tenets of the model.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-04-14

    In this work, we employed X-ray photoelectron spectroscopy to determine the band offsets and interface Fermi level at the heterojunction formed by stoichiometric silicon nitride deposited on Al{sub x}Ga{sub 1-x}N (of varying Al composition “x”) via low pressure chemical vapor deposition. Silicon nitride is found to form a type II staggered band alignment with AlGaN for all Al compositions (0 ≤ x ≤ 1) and present an electron barrier into AlGaN even at higher Al compositions, where E{sub g}(AlGaN) > E{sub g}(Si{sub 3}N{sub 4}). Further, no band bending is observed in AlGaN for x ≤ 0.6 and a reduced band bending (by ∼1 eV in comparison to that at free surface) is observed for x > 0.6. The Fermi level in silicon nitride is found to be at 3 eV with respect to its valence band, which is likely due to silicon (≡Si{sup 0/−1}) dangling bonds. The presence of band bending for x > 0.6 is seen as a likely consequence of Fermi level alignment at Si{sub 3}N{sub 4}/AlGaN hetero-interface and not due to interface states. Photoelectron spectroscopy results are corroborated by current-voltage-temperature and capacitance-voltage measurements. A shift in the interface Fermi level (before band bending at equilibrium) from the conduction band in Si{sub 3}N{sub 4}/n-GaN to the valence band in Si{sub 3}N{sub 4}/p-GaN is observed, which strongly indicates a reduction in mid-gap interface states. Hence, stoichiometric silicon nitride is found to be a feasible passivation and dielectric insulation material for AlGaN at any composition.

  6. Grain alignment in starless cores

    International Nuclear Information System (INIS)

    Jones, T. J.; Bagley, M.; Krejny, M.; Andersson, B.-G.; Bastien, P.

    2015-01-01

    We present near-IR polarimetry data of background stars shining through a selection of starless cores taken in the K band, probing visual extinctions up to A V ∼48. We find that P K /τ K continues to decline with increasing A V with a power law slope of roughly −0.5. Examination of published submillimeter (submm) polarimetry of starless cores suggests that by A V ≳20 the slope for P versus τ becomes ∼−1, indicating no grain alignment at greater optical depths. Combining these two data sets, we find good evidence that, in the absence of a central illuminating source, the dust grains in dense molecular cloud cores with no internal radiation source cease to become aligned with the local magnetic field at optical depths greater than A V ∼20. A simple model relating the alignment efficiency to the optical depth into the cloud reproduces the observations well.

  7. Reducing the negative valence of stressful memories through emotionally valenced, modality-specific tasks

    NARCIS (Netherlands)

    Tadmor, Avia; McNally, Richard J; Engelhard, Iris M

    2016-01-01

    BACKGROUND AND OBJECTIVES: People who perform a cognitively demanding secondary task while recalling a distressing memory often experience the memory as less emotional, vivid, or accurate during subsequent recollections. In this experiment, we tested whether the emotional valence (positive versus

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

    Science.gov (United States)

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

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

  9. 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

  10. How Do Thoughts, Emotions, and Decisions Align? A New Way to Examine Theory of Mind in Middle Childhood and Beyond

    Science.gov (United States)

    Lagattuta, Kristin Hansen

    2016-01-01

    The current study examined 4- to 10-year-olds’ and adults’ (N = 280) tendency to connect people’s thoughts, emotions, and decisions into valence-matched mental state triads (thought valence = emotion valence = decision valence; such as, anticipate something bad + feel worried + avoid) and valence-matched mental state dyads (thought-emotion, thought-decision, and emotion-decision). Participants heard vignettes about focal characters who re-encountered individuals who had previously harmed them twice, helped them twice, or both harmed and helped them. Baseline trials involved no past experience. Children and adults predicted the focal characters’ thoughts (anticipate something good or bad), emotions (feel happy or worried), and decisions (go near or stay away). Results showed significant increases between 4 and 10 years in the formation of valence-matched mental state triads and dyads, with thoughts and emotions most often aligned by valence. We also documented age-related improvement in awareness that uncertain situations elicit less valence-consistent mental states than more certain situations, with females expecting weaker coherence among characters’ thoughts, emotions, and decisions than males. Controlling for age and sex, individuals with stronger executive function (working memory and inhibitory control) predicted more valence-aligned mental states. These findings add to the emerging literature on development and individual differences in children’s reasoning about mental states and emotions during middle childhood and beyond. PMID:27017060

  11. Valence-Dependent Belief Updating: Computational Validation

    Directory of Open Access Journals (Sweden)

    Bojana Kuzmanovic

    2017-06-01

    Full Text Available People tend to update beliefs about their future outcomes in a valence-dependent way: they are likely to incorporate good news and to neglect bad news. However, belief formation is a complex process which depends not only on motivational factors such as the desire for favorable conclusions, but also on multiple cognitive variables such as prior beliefs, knowledge about personal vulnerabilities and resources, and the size of the probabilities and estimation errors. Thus, we applied computational modeling in order to test for valence-induced biases in updating while formally controlling for relevant cognitive factors. We compared biased and unbiased Bayesian models of belief updating, and specified alternative models based on reinforcement learning. The experiment consisted of 80 trials with 80 different adverse future life events. In each trial, participants estimated the base rate of one of these events and estimated their own risk of experiencing the event before and after being confronted with the actual base rate. Belief updates corresponded to the difference between the two self-risk estimates. Valence-dependent updating was assessed by comparing trials with good news (better-than-expected base rates with trials with bad news (worse-than-expected base rates. After receiving bad relative to good news, participants' updates were smaller and deviated more strongly from rational Bayesian predictions, indicating a valence-induced bias. Model comparison revealed that the biased (i.e., optimistic Bayesian model of belief updating better accounted for data than the unbiased (i.e., rational Bayesian model, confirming that the valence of the new information influenced the amount of updating. Moreover, alternative computational modeling based on reinforcement learning demonstrated higher learning rates for good than for bad news, as well as a moderating role of personal knowledge. Finally, in this specific experimental context, the approach based on

  12. Actinides, the narrowwest bands

    International Nuclear Information System (INIS)

    Smith, J.L.; Riseborough, P.S.

    1984-01-01

    A table of elements is shown that demonstrates the crossover from superconductivity to magnetism as well as regions of mixed valence. In particular, the actinides must eventually show 4f-electron like mixed valence, after the 5f-electrons become localized. There also seems to be an adiabatic continuation between heavy fermion and mixed valence behavior

  13. Type-I band alignment at MoS2/In0.15Al0.85N lattice matched heterojunction and realization of MoS2 quantum well

    KAUST Repository

    Tangi, Malleswararao; Mishra, Pawan; Li, Ming-Yang; Shakfa, Mohammad Khaled; Anjum, Dalaver H.; Hedhili, Mohamed N.; Ng, Tien Khee; Li, Lain-Jong; Ooi, Boon S.

    2017-01-01

    matching with that of MoS2. We confirm that the grown MoS2 is a single layer from optical and structural analyses using micro-Raman spectroscopy and scanning transmission electron microscopy. The band offset parameters VBO and CBO at the In0.15Al0.85N/MoS2

  14. Evaluative conditioning induces changes in sound valence

    Directory of Open Access Journals (Sweden)

    Anna C. Bolders

    2012-04-01

    Full Text Available Evaluative Conditioning (EC has hardly been tested in the auditory domain, but it is a potentially valuable research tool. In Experiment 1 we investigated whether the affective evaluation of short environmental sounds can be changed using affective words as unconditioned stimuli (US. Congruence effects on an affective priming task (APT for conditioned sounds demonstrated successful EC. Subjective ratings for sounds paired with negative words changed accordingly. In Experiment 2 we investigated whether the acquired valence remains stable after repeated presentation of the conditioned sound without the US or whether extinction occurs. The acquired affective value remained present, albeit weaker, even after 40 extinction trials. These results warrant the use of EC to study processing of short environmental sounds with acquired valence, even if this requires repeated stimulus presentations. This paves the way for studying processing of affective environmental sounds while effectively controlling low level-stimulus properties.

  15. Human Amygdala Represents the Complete Spectrum of Subjective Valence

    Science.gov (United States)

    Jin, Jingwen; Zelano, Christina; Gottfried, Jay A.

    2015-01-01

    Although the amygdala is a major locus for hedonic processing, how it encodes valence information is poorly understood. Given the hedonic potency of odor stimuli and the amygdala's anatomical proximity to the peripheral olfactory system, we combined high-resolution fMRI with pattern-based multivariate techniques to examine how valence information is encoded in the amygdala. Ten human subjects underwent fMRI scanning while smelling 9 odorants that systematically varied in perceived valence. Representational similarity analyses showed that amygdala codes the entire dimension of valence, ranging from pleasantness to unpleasantness. This unidimensional representation significantly correlated with self-reported valence ratings but not with intensity ratings. Furthermore, within-trial valence representations evolved over time, prioritizing earlier differentiation of unpleasant stimuli. Together, these findings underscore the idea that both spatial and temporal features uniquely encode pleasant and unpleasant odor valence in the amygdala. The availability of a unidimensional valence code in the amygdala, distributed in both space and time, would create greater flexibility in determining the pleasantness or unpleasantness of stimuli, providing a mechanism by which expectation, context, attention, and learning could influence affective boundaries for guiding behavior. SIGNIFICANCE STATEMENT Our findings elucidate the mechanisms of affective processing in the amygdala by demonstrating that this brain region represents the entire valence dimension from pleasant to unpleasant. An important implication of this unidimensional valence code is that pleasant and unpleasant valence cannot coexist in the amygdale because overlap of fMRI ensemble patterns for these two valence extremes obscures their unique content. This functional architecture, whereby subjective valence maps onto a pattern continuum between pleasant and unpleasant poles, offers a robust mechanism by which context

  16. 5th International Conference on Valence Fluctuations

    CERN Document Server

    Malik, S

    1987-01-01

    During the Koln meeting (August 28-31, 1984), Irdia was chosen as the venue for the next International Conference on Valence Fluctuations. lhis was in recognition ard appreciation of the work done, both experimental ard theoretical, by the Irdian scientists in this area during the last decade. We decided to hold this Conference in the month of January, 1987 at Bangalore. lhe subject of Valence Fluctuations has kept itself alive ard active as it has provided many shocks ard suprises particularly among the Ce- ard U-based intermetallies. lhe richness of many interesting physical phenomena occurring in mixed valent materials, the flexibility of modifying their physical properties (by alloying, for example) ard the possibility of synthesizing a wide variety of new such materials seem to be the key factors in this regard. Barely six months before this Conference, an International Conference on Anomalous Rare Earths and Actinides (ICAREA) had been held at Grenoble (July, 1986) which also focussed on mixed valence a...

  17. Valence fluctuations between two magnetic configurations

    International Nuclear Information System (INIS)

    Mazzaferro, J.O.

    1982-01-01

    The subject of this work is the study of a microscopic model which describes TmSe through its most important feature, i.e.: the valence fluctuations between two magnetic configurations. Chapter I is a general review of the most important physical properties of rare-earth systems with intermediate valence (I.V.) and a general description of experimental results and theoretical models on Tm compounds. In Chapter II the Hamiltonian model is discussed and the loss of rotational invariance is also analyzed. Chapter III is devoted to the study of non-stoichiometric Tsub(x)Se compounds. It is shown that these compounds can be considered as a mixture of TmSe (I.V. system) and Tm 3+ 0.87Se. Chapter IV is devoted to the calculation of spin-and charge susceptibilities. The results obtained permit to explain the essential features of the neutron scattering spectrum in TmSe. In Chapter V, an exactly solvable periodic Hamiltonian is presented. From the experimental results, some fundamental features are deduced to describe TmSe as an intermediate valence system whose two accessible ionic configurations are magnetic (degenerated fundamental state). (M.E.L) [es

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

    Science.gov (United States)

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

    2012-11-28

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

  19. Aligning the unalignable: bacteriophage whole genome alignments.

    Science.gov (United States)

    Bérard, Sèverine; Chateau, Annie; Pompidor, Nicolas; Guertin, Paul; Bergeron, Anne; Swenson, Krister M

    2016-01-13

    In recent years, many studies focused on the description and comparison of large sets of related bacteriophage genomes. Due to the peculiar mosaic structure of these genomes, few informative approaches for comparing whole genomes exist: dot plots diagrams give a mostly qualitative assessment of the similarity/dissimilarity between two or more genomes, and clustering techniques are used to classify genomes. Multiple alignments are conspicuously absent from this scene. Indeed, whole genome aligners interpret lack of similarity between sequences as an indication of rearrangements, insertions, or losses. This behavior makes them ill-prepared to align bacteriophage genomes, where even closely related strains can accomplish the same biological function with highly dissimilar sequences. In this paper, we propose a multiple alignment strategy that exploits functional collinearity shared by related strains of bacteriophages, and uses partial orders to capture mosaicism of sets of genomes. As classical alignments do, the computed alignments can be used to predict that genes have the same biological function, even in the absence of detectable similarity. The Alpha aligner implements these ideas in visual interactive displays, and is used to compute several examples of alignments of Staphylococcus aureus and Mycobacterium bacteriophages, involving up to 29 genomes. Using these datasets, we prove that Alpha alignments are at least as good as those computed by standard aligners. Comparison with the progressive Mauve aligner - which implements a partial order strategy, but whose alignments are linearized - shows a greatly improved interactive graphic display, while avoiding misalignments. Multiple alignments of whole bacteriophage genomes work, and will become an important conceptual and visual tool in comparative genomics of sets of related strains. A python implementation of Alpha, along with installation instructions for Ubuntu and OSX, is available on bitbucket (https://bitbucket.org/thekswenson/alpha).

  20. Valency and type conversion in CuInSe2 with H2 plasma exposure: A photoemission investigation

    International Nuclear Information System (INIS)

    Nelson, A.J.; Frigo, S.P.; Rosenberg, R.

    1993-01-01

    The effect of H 2 plasma exposure on CuInSe 2 was studied by synchrotron radiation soft-x-ray photoemission spectroscopy. The low-power H 2 plasma was generated with a commercial electron cyclotron resonance plasma source using pure H 2 with the plasma exposure being performed at 200 degree C. In situ photoemission measurements were acquired after each plasma exposure in order to observe changes in the valence-band electronic structure as well as changes in the In 4d and Se 3d core lines. The results were correlated in order to relate changes in surface chemistry to the electronic structure. These measurements indicate that the H 2 plasma exposure type converts the CuInSe 2 surface to an n-type surface as well as converting the In +3 valency state to an In +1 valency state

  1. Valence skipping driven superconductivity and charge Kondo effect

    International Nuclear Information System (INIS)

    Yanagisawa, Takashi; Hase, Izumi

    2013-01-01

    Highlights: •Valence skipping in metallic compounds can give rise to an unconventional superconductivity. •Several elements in the periodic table show valence skipping (or valence missing), for example, Bi forms the compounds in valence states +3 and +5. •The doping of valence skipping elements will induce superconductivity and this will lead to a possibility of high temperature superconductivity. •We consider the Wolf model with negative-U impurities, and show a phase diagram including superconducting phase. •There is a high temperature region near the boundary. -- Abstract: Valence skipping in metallic compounds can give rise to an unconventional superconductivity. Several elements in the periodic table show valence skipping (or valence missing), for example, Bi forms the compounds in valence states +3 and +5. The doping of valence skipping elements will induce superconductivity and this will lead to a possibility of high temperature superconductivity. We consider the Wolf model with negative-U impurities, and show a phase diagram including superconducting phase. The superconducting state is changed into a metallic state with a local singlet as the attractive interaction |U| increases. There is a high temperature region near the boundary

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  3. Topological Qubits from Valence Bond Solids

    Science.gov (United States)

    Wang, Dong-Sheng; Affleck, Ian; Raussendorf, Robert

    2018-05-01

    Topological qubits based on S U (N )-symmetric valence-bond solid models are constructed. A logical topological qubit is the ground subspace with twofold degeneracy, which is due to the spontaneous breaking of a global parity symmetry. A logical Z rotation by an angle 2 π /N , for any integer N >2 , is provided by a global twist operation, which is of a topological nature and protected by the energy gap. A general concatenation scheme with standard quantum error-correction codes is also proposed, which can lead to better codes. Generic error-correction properties of symmetry-protected topological order are also demonstrated.

  4. Thermal recombination: Beyond the valence quark approximation

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, B. [Department of Physics, Duke University, Durham, NC 27708 (United States); Fries, R.J. [School of Physics and Astronomy, University of Minnesota, Minneapolis, MN 55455 (United States)]. E-mail: fries@physics.umn.edu; Bass, S.A. [Department of Physics, Duke University, Durham, NC 27708 (United States); RIKEN BNL Research Center, Brookhaven National Laboratory, Upton, NY 11973 (United States)

    2005-07-07

    Quark counting rules derived from recombination models agree well with data on hadron production at intermediate transverse momenta in relativistic heavy-ion collisions. They convey a simple picture of hadrons consisting only of valence quarks. We discuss the inclusion of higher Fock states that add sea quarks and gluons to the hadron structure. We show that, when recombination occurs from a thermal medium, hadron spectra remain unaffected by the inclusion of higher Fock states. However, the quark number scaling for elliptic flow is somewhat affected. We discuss the implications for our understanding of data from the Relativistic Heavy Ion Collider.

  5. Valence electron momentum distributions in cadmium

    International Nuclear Information System (INIS)

    Frost, L.; Weigold, E.; Mitroy, J.

    1982-08-01

    The valence 5s and 4d electron momentum distributions in cadmium have been measured using noncoplanar symmetric (e, 2e) electron coincidence spectroscopy at a total energy of 1200eV. They are in close agreement with Hartree-Fock momentum distributions both in shape and relative magnitudes. Some satellite lines of very low intensity have been detected. A CI calculation of the Cd ground state and several Cd + ion states has been carried out to predict cross reactions for the ground state and various satellite transitions. The predictions are in agreement with the data

  6. Reply to Isgur's comments on valence QCD

    International Nuclear Information System (INIS)

    Liu, K.F.

    2000-01-01

    With the goal of understanding the complexity of QCD and the role of symmetry in dynamics, the authors studied a field theory called Valence QCD (VQCD) in which the Z graphs are forbidden so that the Fock space is limited to the valence quarks. The authors calculated nucleon form factors, matrix elements, and hadron masses both with this theory and with quenched QCD on a set of lattices with the same gauge background. Comparing the results of the lattice calculations in these two theories, the authors drew conclusions regarding the SU(6) valence quark model and chiral symmetry. While recognizing the goal of VQCD, Nathan Isgur disagrees on some of the conclusions the authors have drawn. The foremost objection raised in section 2 is to their suggestion that the major part of the hyperfine splittings in baryons is due to Goldstone boson exchange and not one-gluon-exchange (OGE) interactions. The logic of Isgur's objection is that VQCD yields a spectroscopy vastly different from quenched QCD and therefore the structure of the hadrons (to which hyperfine splittings in a quark model are intimately tied) is also suspect so no definite conclusions are possible. To put this into perspective it should be emphasized at the outset that spectroscopy is only one aspect of hadron physics examined in section 1. The authors have studied the axial and scalar couplings of nucleon in terms of F A /D A and F S /D S , the neutron to proton magnetic moment ratio μn/μp, and various form factors. None of these results reveal any pathologies of hadron structure and turn out to be close to the SU(6) relations, as expected. In fact this is what motivated the study of valence degrees of freedom via VQCD. In section 2 the authors address specific issues related to spectroscopy in VQCD. Isgur also presented more general arguments against the idea of boson exchange as a contributor to hyperfine effects. A cornerstone of his discussion is the unifying aspect of OGE in a quark model picture. The

  7. Strongly correlated impurity band superconductivity in diamond: X-ray spectroscopic evidence

    Directory of Open Access Journals (Sweden)

    G. Baskaran

    2006-01-01

    Full Text Available In a recent X-ray absorption study in boron doped diamond, Nakamura et al. have seen a well isolated narrow boron impurity band in non-superconducting samples and an additional narrow band at the chemical potential in a superconducting sample. We interpret the beautiful spectra as evidence for upper Hubbard band of a Mott insulating impurity band and an additional metallic 'mid-gap band' of a conducting 'self-doped' Mott insulator. This supports the basic framework of a recent theory of the present author of strongly correlated impurity band superconductivity (impurity band resonating valence bond, IBRVB theory in a template of a wide-gap insulator, with no direct involvement of valence band states.

  8. INTRINSIC ALIGNMENT OF CLUSTER GALAXIES: THE REDSHIFT EVOLUTION

    International Nuclear Information System (INIS)

    Hao Jiangang; Kubo, Jeffrey M.; Feldmann, Robert; Annis, James; Johnston, David E.; Lin Huan; McKay, Timothy A.

    2011-01-01

    We present measurements of two types of cluster galaxy alignments based on a volume limited and highly pure (≥90%) sample of clusters from the GMBCG catalog derived from Data Release 7 of the Sloan Digital Sky Survey (SDSS DR7). We detect a clear brightest cluster galaxy (BCG) alignment (the alignment of major axis of the BCG toward the distribution of cluster satellite galaxies). We find that the BCG alignment signal becomes stronger as the redshift and BCG absolute magnitude decrease and becomes weaker as BCG stellar mass decreases. No dependence of the BCG alignment on cluster richness is found. We can detect a statistically significant (≥3σ) satellite alignment (the alignment of the major axes of the cluster satellite galaxies toward the BCG) only when we use the isophotal fit position angles (P.A.s), and the satellite alignment depends on the apparent magnitudes rather than the absolute magnitudes of the BCGs. This suggests that the detected satellite alignment based on isophotal P.A.s from the SDSS pipeline is possibly due to the contamination from the diffuse light of nearby BCGs. We caution that this should not be simply interpreted as non-existence of the satellite alignment, but rather that we cannot detect them with our current photometric SDSS data. We perform our measurements on both SDSS r-band and i-band data, but do not observe a passband dependence of the alignments.

  9. Quasi-particle electronic band structure and alignment of the V-VI-VII semiconductors SbSI, SbSBr, and SbSeI for solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Butler, Keith T. [Centre for Sustainable Chemical Technologies and Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom); McKechnie, Scott; Azarhoosh, Pooya; Schilfgaarde, Mark van [Department of Physics, Kings College London, London WC2R 2LS (United Kingdom); Scanlon, David O. [University College London, Kathleen Lonsdale Materials Chemistry, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); Walsh, Aron, E-mail: a.walsh@bath.ac.uk [Centre for Sustainable Chemical Technologies and Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom); Global E" 3 Institute and Department of Materials Science and Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of)

    2016-03-14

    The ternary V-VI-VII chalcohalides consist of one cation and two anions. Trivalent antimony—with a distinctive 5s{sup 2} electronic configuration—can be combined with a chalcogen (e.g., S or Se) and halide (e.g., Br or I) to produce photoactive ferroelectric semiconductors with similarities to the Pb halide perovskites. We report—from relativistic quasi-particle self-consistent GW theory—that these materials have a multi-valley electronic structure with several electron and hole basins close to the band extrema. We predict ionisation potentials of 5.3–5.8 eV from first-principles for the three materials, and assess electrical contacts that will be suitable for achieving photovoltaic action from these unconventional compounds.

  10. Computational Design of Flat-Band Material

    Science.gov (United States)

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

    2018-02-01

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

  11. Graphene-insulator-semiconductor capacitors as superior test structures for photoelectric determination of semiconductor devices band diagrams

    Directory of Open Access Journals (Sweden)

    K. Piskorski

    2018-05-01

    Full Text Available We report on the advantages of using Graphene-Insulator-Semiconductor (GIS instead of Metal-Insulator-Semiconductor (MIS structures in reliable and precise photoelectric determination of the band alignment at the semiconductor-insulator interface and of the insulator band gap determination. Due to the high transparency to light of the graphene gate in GIS structures large photocurrents due to emission of both electrons and holes from the substrate and negligible photocurrents due to emission of carriers from the gate can be obtained, which allows reliable determination of barrier heights for both electrons, Ee and holes, Eh from the semiconductor substrate. Knowing the values of both Ee and Eh allows direct determination of the insulator band gap EG(I. Photoelectric measurements were made of a series of Graphene-SiO2-Si structures and an example is shown of the results obtained in sequential measurements of the same structure giving the following barrier height values: Ee = 4.34 ± 0.01 eV and Eh = 4.70 ± 0.03 eV. Based on this result and results obtained for other structures in the series we conservatively estimate the maximum uncertainty of both barrier heights estimations at ± 0.05 eV. This sets the SiO2 band gap estimation at EG(I = 7.92 ± 0.1 eV. It is shown that widely different SiO2 band gap values were found by research groups using various determination methods. We hypothesize that these differences are due to different sensitivities of measurement methods used to the existence of the SiO2 valence band tail.

  12. Graphene-insulator-semiconductor capacitors as superior test structures for photoelectric determination of semiconductor devices band diagrams

    Science.gov (United States)

    Piskorski, K.; Passi, V.; Ruhkopf, J.; Lemme, M. C.; Przewlocki, H. M.

    2018-05-01

    We report on the advantages of using Graphene-Insulator-Semiconductor (GIS) instead of Metal-Insulator-Semiconductor (MIS) structures in reliable and precise photoelectric determination of the band alignment at the semiconductor-insulator interface and of the insulator band gap determination. Due to the high transparency to light of the graphene gate in GIS structures large photocurrents due to emission of both electrons and holes from the substrate and negligible photocurrents due to emission of carriers from the gate can be obtained, which allows reliable determination of barrier heights for both electrons, Ee and holes, Eh from the semiconductor substrate. Knowing the values of both Ee and Eh allows direct determination of the insulator band gap EG(I). Photoelectric measurements were made of a series of Graphene-SiO2-Si structures and an example is shown of the results obtained in sequential measurements of the same structure giving the following barrier height values: Ee = 4.34 ± 0.01 eV and Eh = 4.70 ± 0.03 eV. Based on this result and results obtained for other structures in the series we conservatively estimate the maximum uncertainty of both barrier heights estimations at ± 0.05 eV. This sets the SiO2 band gap estimation at EG(I) = 7.92 ± 0.1 eV. It is shown that widely different SiO2 band gap values were found by research groups using various determination methods. We hypothesize that these differences are due to different sensitivities of measurement methods used to the existence of the SiO2 valence band tail.

  13. Electronic band structure of lithium, sodium and potassium fluorides

    International Nuclear Information System (INIS)

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

    1975-01-01

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

  14. 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.

  15. Valence photoelectron spectrum of KBr: Effects of electron correlation

    International Nuclear Information System (INIS)

    Calo, A.; Huttula, M.; Patanen, M.; Aksela, H.; Aksela, S.

    2008-01-01

    The valence photoelectron spectrum has been measured for molecular KBr. Experimental energies of the main and satellite structures have been compared with the results of ab initio calculations based on molecular orbital theory including configuration and multiconfiguration interaction approaches. Comparison between the experimental KBr spectrum and previously reported Kr valence photoelectron spectrum has also been performed in order to find out if electron correlation is of the same importance in the valence ionized state of KBr as in the corresponding state of Kr

  16. Temperature effects in the valence fluctuation of europium intermetallic compounds

    International Nuclear Information System (INIS)

    Menezes, O.L.T. de; Troper, A.; Gomes, A.A.

    1978-03-01

    A previously reported model for valence fluctuations in europium compound in order to account for thermal occupation effect. Experimental results are critically discussed and new experiments are suggested

  17. Positive valence music restores executive control over sustained attention.

    Science.gov (United States)

    Baldwin, Carryl L; Lewis, Bridget A

    2017-01-01

    Music sometimes improves performance in sustained attention tasks. But the type of music employed in previous investigations has varied considerably, which can account for equivocal results. Progress has been hampered by lack of a systematic database of music varying in key characteristics like tempo and valence. The aims of this study were to establish a database of popular music varying along the dimensions of tempo and valence and to examine the impact of music varying along these dimensions on restoring attentional resources following performance of a sustained attention to response task (SART) vigil. Sixty-nine participants rated popular musical selections that varied in valence and tempo to establish a database of four musical types: fast tempo positive valence, fast tempo negative valence, slow tempo positive valence, and slow tempo negative valence. A second group of 89 participants performed two blocks of the SART task interspersed with either no break or a rest break consisting of 1 of the 4 types of music or silence. Presenting positive valence music (particularly of slow tempo) during an intermission between two successive blocks of the SART significantly decreased miss rates relative to negative valence music or silence. Results support an attentional restoration theory of the impact of music on sustained attention, rather than arousal theory and demonstrate a means of restoring sustained attention. Further, the results establish the validity of a music database that will facilitate further investigations of the impact of music on performance.

  18. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    G.Gomez.

    Since June of 2009, the muon alignment group has focused on providing new alignment constants and on finalizing the hardware alignment reconstruction. Alignment constants for DTs and CSCs were provided for CRAFT09 data reprocessing. For DT chambers, the track-based alignment was repeated using CRAFT09 cosmic ray muons and validated using segment extrapolation and split cosmic tools. One difference with respect to the previous alignment is that only five degrees of freedom were aligned, leaving the rotation around the local x-axis to be better determined by the hardware system. Similarly, DT chambers poorly aligned by tracks (due to limited statistics) were aligned by a combination of photogrammetry and hardware-based alignment. For the CSC chambers, the hardware system provided alignment in global z and rotations about local x. Entire muon endcap rings were further corrected in the transverse plane (global x and y) by the track-based alignment. Single chamber track-based alignment suffers from poor statistic...

  19. Observation of Rydberg transitions from the inner valence shell of ethane

    International Nuclear Information System (INIS)

    Dillon, M.A.; Tanaka, H.; Spence, D.

    1987-01-01

    The electron impact spectrum of ethane has been examined in a region that includes ionization out of the inner valence shell. One diffuse structure and a progression of ten vibrational bands have been found in a 4 eV range below and to some degree overlapping the 2 A 2 /sub u/ ion threshold. Evidence indicates that the observed transitions belong to the symmetry forbidden Rydberg series (2a 2 /sub u/) 2 →(2a 2 /sub u/, npσ or npπ)

  20. On the electrical conductivity for the mixed-valence model with d-f correlations

    International Nuclear Information System (INIS)

    Borgiel, W.; Matlak, M.

    1984-08-01

    The static electrical conductivity of mixed-valence systems is calculated in the model of Matlak and Nolting [Solid State Commun., 47, 11 (1983); Z. Phys., B55, 103 (1984)]. The method takes into account the atomic properties more exactly than those connected with bands, and hence emphasizes the ionic aspect of the problem in some way; indeed, the calculations overestimate the atomic properties. Some results are presented in a graph. It is found that the electrical conductivity depends strongly on temperature and the electron-hole attraction constant

  1. Design of practical alignment device in KSTAR Thomson diagnostic

    Energy Technology Data Exchange (ETDEWEB)

    Lee, J. H., E-mail: jhlee@nfri.re.kr [National Fusion Research Institute, Daejeon (Korea, Republic of); University of Science and Technology (UST), Daejeon (Korea, Republic of); Lee, S. H. [National Fusion Research Institute, Daejeon (Korea, Republic of); Yamada, I. [National Institute for Fusion Science, Toki (Japan)

    2016-11-15

    The precise alignment of the laser path and collection optics in Thomson scattering measurements is essential for accurately determining electron temperature and density in tokamak experiments. For the last five years, during the development stage, the KSTAR tokamak’s Thomson diagnostic system has had alignment fibers installed in its optical collection modules, but these lacked a proper alignment detection system. In order to address these difficulties, an alignment verifying detection device between lasers and an object field of collection optics is developed. The alignment detection device utilizes two types of filters: a narrow laser band wavelength for laser, and a broad wavelength filter for Thomson scattering signal. Four such alignment detection devices have been successfully developed for the KSTAR Thomson scattering system in this year, and these will be tested in KSTAR experiments in 2016. In this paper, we present the newly developed alignment detection device for KSTAR’s Thomson scattering diagnostics.

  2. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    G. Gomez and J. Pivarski

    2011-01-01

    Alignment efforts in the first few months of 2011 have shifted away from providing alignment constants (now a well established procedure) and focussed on some critical remaining issues. The single most important task left was to understand the systematic differences observed between the track-based (TB) and hardware-based (HW) barrel alignments: a systematic difference in r-φ and in z, which grew as a function of z, and which amounted to ~4-5 mm differences going from one end of the barrel to the other. This difference is now understood to be caused by the tracker alignment. The systematic differences disappear when the track-based barrel alignment is performed using the new “twist-free” tracker alignment. This removes the largest remaining source of systematic uncertainty. Since the barrel alignment is based on hardware, it does not suffer from the tracker twist. However, untwisting the tracker causes endcap disks (which are aligned ...

  3. Seniority Number in Valence Bond Theory.

    Science.gov (United States)

    Chen, Zhenhua; Zhou, Chen; Wu, Wei

    2015-09-08

    In this work, a hierarchy of valence bond (VB) methods based on the concept of seniority number, defined as the number of singly occupied orbitals in a determinant or an orbital configuration, is proposed and applied to the studies of the potential energy curves (PECs) of H8, N2, and C2 molecules. It is found that the seniority-based VB expansion converges more rapidly toward the full configuration interaction (FCI) or complete active space self-consistent field (CASSCF) limit and produces more accurate PECs with smaller nonparallelity errors than its molecular orbital (MO) theory-based analogue. Test results reveal that the nonorthogonal orbital-based VB theory provides a reverse but more efficient way to truncate the complete active Hilbert space by seniority numbers.

  4. Fluorescence properties of valence-controlled Eu2+ and Mn2+ ions in aluminosilicate glasses

    International Nuclear Information System (INIS)

    Van Tuyen, Ho; Nonaka, Takamasa; Yamanaka, Ken-ichi; Chau, Pham Minh; Quy Hai, Nguyen Thi; Quang, Vu Xuan; Nogami, Masayuki

    2017-01-01

    Controlling of valence states of metal ions doped in glasses has attracted considerable interest due to the possibility of looking toward optical applications. In this study, new Na 2 O-Al 2 O 3 -SiO 2 glasses were developed to dope Eu 2+ and Mn 2+ with well controlled valence states by heating in H 2 gas atmosphere, and the changes in the valence state of doped-ions and their fluorescence properties were investigated using visible and infrared optical absorption spectroscopies, X-ray absorption fine structure spectroscopy, and fluorescence spectroscopy. Among Eu 3+ , Mn 3+ and Mn 2+ ions incorporated in the as-prepared glasses, the Eu 3+ and Mn 3+ ions were reduced to Eu 2+ and Mn 2+ ions, respectively, by heating in H 2 gas and OH bonds were concurrently formed. The fluorescence spectra of glasses heated in H 2 exhibited broad emission bands at 450 and 630 nm wavelength, assigned to the Eu 2+ and Mn 2+ , respectively, ions, in which the fluorescence intensity at 450 nm was observed to decrease with increasing Mn 2+ ion content. The increased fluorescence intensities were analyzed as the energy transfer from Eu 2+ to Mn 2+ ions and the energy transfer efficiency was estimated with a concentration of Eu 2+ and Mn 2+ ions.

  5. Probing Transient Valence Orbital Changes with Picosecond Valence-to-Core X-ray Emission Spectroscopy

    DEFF Research Database (Denmark)

    March, Anne Marie; Assefa, Tadesse A.; Boemer, Christina

    2017-01-01

    We probe the dynamics of valence electrons in photoexcited [Fe(terpy)2]2+ in solution to gain deeper insight into the Fe ligand bond changes. We use hard X-ray emission spectroscopy (XES), which combines element specificity and high penetration with sensitivity to orbital structure, making...... valence orbitals to the nascent core-hole. Vtc-XES offers particular insight into the molecular orbitals directly involved in the light-driven dynamics; a change in the metal ligand orbital overlap results in an intensity reduction and a blue energy shift in agreement with our theoretical calculations...... and more subtle features at the highest energies reflect changes in the frontier orbital populations....

  6. Photoemission investigation of the ZnSe/CdTe heterojunction band discontinuity

    International Nuclear Information System (INIS)

    Nelson, A.J.

    1995-01-01

    Synchrotron radiation soft x-ray photoemission spectroscopy and reflection high-energy electron diffraction were used to investigate the structural and electronic properties at the ZnSe/CdTe(100) heterojunction interface. ZnSe overlayers were sequentially grown in steps on p-type CdTe(100) single crystals at 200 degree C. In situ photoemission measurements were acquired after each growth in order to observe changes in the valence band electronic structure as well as changes in the Cd 4d, Zn 3d, and Te 4d core lines. The results were used to correlate the interfacial chemistry with the electronic structure and to directly determine the ZnSe/CdTe heterojunction valence band discontinuity and the consequent heterojunction band diagram. Results of these measurements reveal that the valence band offset is ΔE v =0.20 eV. copyright 1995 American Institute of Physics

  7. Prediction of valence and arousal from music features

    NARCIS (Netherlands)

    Den Brinker, A.C.; Van Dinther, C.H.B.A.; Skowronek, J.

    2011-01-01

    Mood is an important attribute of music and knowledge on mood can beused as a basic ingredient in music recommender and retrieval systems. Moods are assumed to be dominantly determined by two dimensions:valence and arousal. An experiment was conducted to attain data forsong-based ratings of valence

  8. Semiempirical search for oxide superconductors based on bond valence sums

    International Nuclear Information System (INIS)

    Tanaka, S.; Fukushima, N.; Niu, H.; Ando, K.

    1992-01-01

    Relationships between crystal structures and electronic states of layered transition-metal oxides are analyzed in the light of bond valence sums. Correlations between the superconducting transition temperature T c and the bond-valence-sum parameters are investigated for the high-T c cuprate compounds. Possibility of making nonsuperconducting oxides superconducting is discussed. (orig.)

  9. Investigating Valence and Autonomy in Children's Relationships with Imaginary Companions

    Science.gov (United States)

    McInnis, Melissa A.; Pierucci, Jillian M.; Gilpin, Ansley Tullos

    2013-01-01

    Little research has explored valence and autonomy in children's imaginary relationships. In the present study, a new interview (modeled after an existing measure for real relationships) was designed to elicit descriptions of both positive and negative interactions with imaginary companions and to provide a measure of relationship valence and…

  10. Change in optimum genetic algorithm solution with changing band discontinuities and band widths of electrically conducting copolymers

    Science.gov (United States)

    Kaur, Avneet; Bakhshi, A. K.

    2010-04-01

    The interest in copolymers stems from the fact that they present interesting electronic and optical properties leading to a variety of technological applications. In order to get a suitable copolymer for a specific application, genetic algorithm (GA) along with negative factor counting (NFC) method has recently been used. In this paper, we study the effect of change in the ratio of conduction band discontinuity to valence band discontinuity (Δ Ec/Δ Ev) on the optimum solution obtained from GA for model binary copolymers. The effect of varying bandwidths on the optimum GA solution is also investigated. The obtained results show that the optimum solution changes with varying parameters like band discontinuity and band width of constituent homopolymers. As the ratio Δ Ec/Δ Ev increases, band gap of optimum solution decreases. With increasing band widths of constituent homopolymers, the optimum solution tends to be dependent on the component with higher band gap.

  11. Architectural Representation of Valence in the Limbic System

    Science.gov (United States)

    Namburi, Praneeth; Al-Hasani, Ream; Calhoon, Gwendolyn G; Bruchas, Michael R; Tye, Kay M

    2016-01-01

    In order to thrive, animals must be able to recognize aversive and appetitive stimuli within the environment and subsequently initiate appropriate behavioral responses. This assignment of positive or negative valence to a stimulus is a key feature of emotional processing, the neural substrates of which have been a topic of study for several decades. Until recently, the result of this work has been the identification of specific brain regions, such as the basolateral amygdala (BLA) and nucleus accumbens (NAc), as important to valence encoding. The advent of modern tools in neuroscience has allowed further dissection of these regions to identify specific populations of neurons signaling the valence of environmental stimuli. In this review, we focus upon recent work examining the mechanisms of valence encoding, and provide a model for the systematic investigation of valence within anatomically-, genetically-, and functionally defined populations of neurons. PMID:26647973

  12. Grain alignment in starless cores

    Energy Technology Data Exchange (ETDEWEB)

    Jones, T. J.; Bagley, M. [Minnesota Institute for Astrophysics, University of Minnesota, Minneapolis, MN 55455 (United States); Krejny, M. [Cree Inc., 4600 Silicon Dr., Durham, NC (United States); Andersson, B.-G. [SOFIA Science Center, USRA, Moffett Field, CA (United States); Bastien, P., E-mail: tjj@astro.umn.edu [Centre de recherche en astrophysique du Québec and Départment de Physique, Université de Montréal, Montréal (Canada)

    2015-01-01

    We present near-IR polarimetry data of background stars shining through a selection of starless cores taken in the K band, probing visual extinctions up to A{sub V}∼48. We find that P{sub K}/τ{sub K} continues to decline with increasing A{sub V} with a power law slope of roughly −0.5. Examination of published submillimeter (submm) polarimetry of starless cores suggests that by A{sub V}≳20 the slope for P versus τ becomes ∼−1, indicating no grain alignment at greater optical depths. Combining these two data sets, we find good evidence that, in the absence of a central illuminating source, the dust grains in dense molecular cloud cores with no internal radiation source cease to become aligned with the local magnetic field at optical depths greater than A{sub V}∼20. A simple model relating the alignment efficiency to the optical depth into the cloud reproduces the observations well.

  13. A study of the valence shell spectroscopic and thermodynamic properties of trifluoronitrosomethane cations

    International Nuclear Information System (INIS)

    Graham, D.M.; Powis, I.; Underwood, J.G.; Shaw, D.A.; Holland, D.M.P.

    2012-01-01

    Highlights: ► Fragmentation processes in CF 3 NO have been studied using mass spectrometry. ► Singly charged atomic fragments have been observed. ► Experimental appearance energies have been compared to thermochemical estimates. ► Hartree Fock transition energies and oscillator strengths have been calculated. - Abstract: A time-of-flight mass spectrometry study has been carried out to investigate the fragmentation processes occurring in trifluoronitrosomethane (CF 3 NO) as a result of valence shell photoionisation. Synchrotron radiation has been used to record spectra in the photon energy range ∼10–42 eV, and appearance energies have been determined for 10 fragment ions. At high excitation energies, singly charged atomic fragments have been observed. For the main dissociation channels, leading to the formation of NO + , CF 2 + or CF 3 + , the experimental appearance energies have been compared with thermochemical estimates, and a satisfactory agreement has been found. Structure observed in the total ion yield curve has been interpreted with the aid of excited state transition energies and oscillator strengths obtained in a time-dependent Hartree Fock calculation. The theoretical results show that configuration interaction strongly affects many of the valence states. A HeI excited photoelectron spectrum of CF 3 NO has been measured and the orbital ionisation energies have been compared with theoretical values computed using the Outer Valence Green’s Function approach. A large Franck–Condon gap is observed between the 12a′ (n - ) and the 11a ′ state bands, in accord with the calculated vertical ionisation energies of 10.87 and 16.32 eV for the 12a′ (n − ) and the 11a′ (n + ) orbitals, respectively. In the ion yield curve, the corresponding energy range is strongly influenced by autoionising valence states.

  14. Using character valence in computer generated music to produce variation aligned to a storyline

    CSIR Research Space (South Africa)

    Featherstone, Coral

    2015-07-01

    Full Text Available This paper is to describes a method for interposing computer generated melody with tone linked to unique entities within the text of a novel. Background: A recent study describing a piece of software called “TransProse” has already shown...

  15. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    G.Gomez

    2010-01-01

    The main developments in muon alignment since March 2010 have been the production, approval and deployment of alignment constants for the ICHEP data reprocessing. In the barrel, a new geometry, combining information from both hardware and track-based alignment systems, has been developed for the first time. The hardware alignment provides an initial DT geometry, which is then anchored as a rigid solid, using the link alignment system, to a reference frame common to the tracker. The “GlobalPositionRecords” for both the Tracker and Muon systems are being used for the first time, and the initial tracker-muon relative positioning, based on the link alignment, yields good results within the photogrammetry uncertainties of the Tracker and alignment ring positions. For the first time, the optical and track-based alignments show good agreement between them; the optical alignment being refined by the track-based alignment. The resulting geometry is the most complete to date, aligning all 250 DTs, ...

  16. Fast global sequence alignment technique

    KAUST Repository

    Bonny, Mohamed Talal; Salama, Khaled N.

    2011-01-01

    fast alignment algorithm, called 'Alignment By Scanning' (ABS), to provide an approximate alignment of two DNA sequences. We compare our algorithm with the wellknown sequence alignment algorithms, the 'GAP' (which is heuristic) and the 'Needleman

  17. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    Z. Szillasi and G. Gomez.

    2013-01-01

    When CMS is opened up, major components of the Link and Barrel Alignment systems will be removed. This operation, besides allowing for maintenance of the detector underneath, is needed for making interventions that will reinforce the alignment measurements and make the operation of the alignment system more reliable. For that purpose and also for their general maintenance and recalibration, the alignment components will be transferred to the Alignment Lab situated in the ISR area. For the track-based alignment, attention is focused on the determination of systematic uncertainties, which have become dominant, since now there is a large statistics of muon tracks. This will allow for an improved Monte Carlo misalignment scenario and updated alignment position errors, crucial for high-momentum muon analysis such as Z′ searches.

  18. Control rod housing alignment

    International Nuclear Information System (INIS)

    Dixon, R.C.; Deaver, G.A.; Punches, J.R.; Singleton, G.E.; Erbes, J.G.; Offer, H.P.

    1990-01-01

    This patent describes a process for measuring the vertical alignment between a hole in a core plate and the top of a corresponding control rod drive housing within a boiling water reactor. It comprises: providing an alignment apparatus. The alignment apparatus including a lower end for fitting to the top of the control rod drive housing; an upper end for fitting to the aperture in the core plate, and a leveling means attached to the alignment apparatus to read out the difference in angularity with respect to gravity, and alignment pin registering means for registering to the alignment pin on the core plate; lowering the alignment device on a depending support through a lattice position in the top guide through the hole in the core plate down into registered contact with the top of the control rod drive housing; registering the upper end to the sides of the hole in the core plate; registering the alignment pin registering means to an alignment pin on the core plate to impart to the alignment device the required angularity; and reading out the angle of the control rod drive housing with respect to the hole in the core plate through the leveling devices whereby the angularity of the top of the control rod drive housing with respect to the hole in the core plate can be determined

  19. Emotion and language: Valence and arousal affect word recognition

    Science.gov (United States)

    Brysbaert, Marc; Warriner, Amy Beth

    2014-01-01

    Emotion influences most aspects of cognition and behavior, but emotional factors are conspicuously absent from current models of word recognition. The influence of emotion on word recognition has mostly been reported in prior studies on the automatic vigilance for negative stimuli, but the precise nature of this relationship is unclear. Various models of automatic vigilance have claimed that the effect of valence on response times is categorical, an inverted-U, or interactive with arousal. The present study used a sample of 12,658 words, and included many lexical and semantic control factors, to determine the precise nature of the effects of arousal and valence on word recognition. Converging empirical patterns observed in word-level and trial-level data from lexical decision and naming indicate that valence and arousal exert independent monotonic effects: Negative words are recognized more slowly than positive words, and arousing words are recognized more slowly than calming words. Valence explained about 2% of the variance in word recognition latencies, whereas the effect of arousal was smaller. Valence and arousal do not interact, but both interact with word frequency, such that valence and arousal exert larger effects among low-frequency words than among high-frequency words. These results necessitate a new model of affective word processing whereby the degree of negativity monotonically and independently predicts the speed of responding. This research also demonstrates that incorporating emotional factors, especially valence, improves the performance of models of word recognition. PMID:24490848

  20. Experimental studies of narrow band effects in the actinides

    Energy Technology Data Exchange (ETDEWEB)

    Brodsky, M.B.

    1976-01-01

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

  1. Experimental studies of narrow band effects in the actinides

    International Nuclear Information System (INIS)

    Brodsky, M.B.

    1976-01-01

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

  2. Fine structure and energy spectrum of exciton in direct band gap cubic semiconductors with degenerate valence bands

    International Nuclear Information System (INIS)

    Nguyen Toan Thang; Nguyen Ai Viet; Nguyen Que Huong

    1987-06-01

    The influence of the cubic structure on the energy spectrum of direct exciton is investigated, using the new method suggested by Nguyen Van Hieu and co-workers. Explicit expressions of the exciton energy levels 1S, 2S and 2P are derived. A comparison with the experiments and the other theory is done for ZnSe. (author). 10 refs, 1 fig., 2 tabs

  3. Intersite interactions and susceptibility in mixed valence systems

    International Nuclear Information System (INIS)

    Xiaoqian Wang; Gao Lin; Bingjian Ni; Fusui Liu.

    1985-10-01

    This paper considers the effect of intersite processes on the susceptibility in mixed valence system. The method of thermodynamical perturbation used in this paper can also be generalized to study other properties of mixed valence system. The general formula of partition function of two-site interactions for the mixed valence system is given. The numerical calculations show that the intersite interaction is large enough to explain the minimum of susceptibility discovered in experiments. The different types of our theoretical curves predict that the susceptibility should exhibit a rich variety of behaviour at low temperature for various materials. (author)

  4. Valence bond model potential energy surface for H4

    International Nuclear Information System (INIS)

    Silver, D.M.; Brown, N.J.

    1980-01-01

    Potential energy surfaces for the H 4 system are derived using the valence bond procedure. An ab initio evaluation of the valence bond energy expression is described and some of its numerical properties are given. Next, four semiempirical evaluations of the valence bond energy are defined and parametrized to yield reasonable agreement with various ab initio calculations of H 4 energies. Characteristics of these four H 4 surfaces are described by means of tabulated energy minima and equipotential contour maps for selected geometrical arrangements of the four nuclei

  5. Valence, magnetism and conduction in the intermediate valence compounds: the case SmB6

    International Nuclear Information System (INIS)

    Derr, J.

    2006-09-01

    In some rare earth based compounds, the 4f level is situated so close to the Fermi level that the valence of the compound can become intermediate between two integer values. The so called 'intermediate valence' compound of Samarium hexaboride (SmB 6 ) is one typical example of the exciting physics which can result from this quantum equilibrium between two valence configurations. The first configuration (Sm 2+ ) corresponds to an insulating and non magnetic state whereas the second one (Sm 3+ ) would theoretically give a magnetic and metallic ground state. This dissertation deals with the influence of pressure on this equilibrium. Specific heat measurements under pressure evidenced a new long range magnetic ordering for pressures higher than p c ∼ 10 GPa. On another hand, transport measurements measured for the first time in good conditions of hydrostatics found a reliable and reproducible critical pressure for the insulator to metal transition equal to p c . The phase diagram of SmB 6 is now well known and the observation for the first time of a magnetic anomaly in the high pressure resistivity curves certifies that the onset of the magnetic phase really coincide with the closure of the gap. This change at the critical pressure p c is discussed in a general frame taking into account the Kondo lattice temperature as a key parameter for the renormalization of the wavefunction from one integer configuration to the other whereas the valence itself is still intermediate. This general idea seems to be valid also for other systems studied in this dissertation like SmS or TmSe and could even be valid for more general cases (Ytterbium, Cerium). In the same time, resistivity measurements under uniaxial stress were undertaken. The result is a strong anisotropy effect observed on the pressure dependence of the residual resistivity in the compound SmB 6 . The comparison with the transport under hydrostatic conditions enables us to consider a new idea for the nature of the gap

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-02-28

    spectroscopies to determine their chemical bondings, the position of their valence band maximum (relative to Fermi level), and their work function values. This enabled us to sketch out, as accurately as possible, the band alignment of the heterojunction interface formed between CZTS and both CdS and ZnS buffer layer materials.

  7. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    G.Gomez

    2010-01-01

    Most of the work in muon alignment since December 2009 has focused on the geometry reconstruction from the optical systems and improvements in the internal alignment of the DT chambers. The barrel optical alignment system has progressively evolved from reconstruction of single active planes to super-planes (December 09) to a new, full barrel reconstruction. Initial validation studies comparing this full barrel alignment at 0T with photogrammetry provide promising results. In addition, the method has been applied to CRAFT09 data, and the resulting alignment at 3.8T yields residuals from tracks (extrapolated from the tracker) which look smooth, suggesting a good internal barrel alignment with a small overall offset with respect to the tracker. This is a significant improvement, which should allow the optical system to provide a start-up alignment for 2010. The end-cap optical alignment has made considerable progress in the analysis of transfer line data. The next set of alignment constants for CSCs will there...

  8. Tidal alignment of galaxies

    Energy Technology Data Exchange (ETDEWEB)

    Blazek, Jonathan; Vlah, Zvonimir; Seljak, Uroš

    2015-08-01

    We develop an analytic model for galaxy intrinsic alignments (IA) based on the theory of tidal alignment. We calculate all relevant nonlinear corrections at one-loop order, including effects from nonlinear density evolution, galaxy biasing, and source density weighting. Contributions from density weighting are found to be particularly important and lead to bias dependence of the IA amplitude, even on large scales. This effect may be responsible for much of the luminosity dependence in IA observations. The increase in IA amplitude for more highly biased galaxies reflects their locations in regions with large tidal fields. We also consider the impact of smoothing the tidal field on halo scales. We compare the performance of this consistent nonlinear model in describing the observed alignment of luminous red galaxies with the linear model as well as the frequently used "nonlinear alignment model," finding a significant improvement on small and intermediate scales. We also show that the cross-correlation between density and IA (the "GI" term) can be effectively separated into source alignment and source clustering, and we accurately model the observed alignment down to the one-halo regime using the tidal field from the fully nonlinear halo-matter cross correlation. Inside the one-halo regime, the average alignment of galaxies with density tracers no longer follows the tidal alignment prediction, likely reflecting nonlinear processes that must be considered when modeling IA on these scales. Finally, we discuss tidal alignment in the context of cosmic shear measurements.

  9. 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.

  10. f-band narrowing in uranium intermetallics

    International Nuclear Information System (INIS)

    Dunlap, B.D.; Litterst, F.J.; Malik, S.K.; Kierstead, H.A.; Crabtree, G.W.; Kwok, W.; Lam, D.J.; Mitchell, A.W.

    1987-01-01

    Although the discovery of heavy fermion behavior in uranium compounds has attracted a great deal of attention, relatively little work has been done which is sufficiently systematic to allow an assessment of the relationship of such behavior to more common phenomena, such as mixed valence, narrow-band effects, etc. In this paper we report bulk property measurements for a number of alloys which form a part of such a systematic study. The approach has been to take relatively simple and well-understood materials and alter their behavior by alloying to produce heavy fermion or Kondo behavior in a controlled way

  11. Effect of valence on the electromigration in silver

    International Nuclear Information System (INIS)

    Nguyen Van Doan

    1970-01-01

    It is shown that the apparent effective valence Z B ** of a solute deduced from experiments differs from the true effective valence Z B * defined in the atomic models by a corrective term due to the 'vacancy flow effect'. The experimental results suggest that this corrective term is very important and that it is negative for transition elements; this hypothesis is confirmed for the case of iron in a copper matrix. For the elements to the right of silver in the periodic table, where the correction can be neglected, the effective valence of the solute varies linearly with z (z + 1), z being the difference between the valency of the solute and the solvent; in contrast, the further the solute is from the solvent in the periodic table the more nearly the electronic structure of the ion at the saddle point resembles that of the ion at the equilibrium position. (author) [fr

  12. Nuclear wobbling-phonon excitations with alignments

    International Nuclear Information System (INIS)

    Hamamoto, I.

    2003-01-01

    Wobbling-phonon excitations, which are recently observed in 71 163 Lu 92 , are studied. The presence of alignments in nuclei makes it easier for wobbling excitations to appear at lower angular momenta of the yrast spectra. A family of rotational bands with wobbling excitations, which have nearly the same nuclear intrinsic structure, have been pinned down by observing specific electromagnetic decay properties between them. The triaxiality parameter γ = +20 deg. is obtained for the nuclear shape from measured E2 transition probabilities

  13. Quantitative analysis of valence photoemission spectra and quasiparticle excitations at chromophore-semiconductor interfaces.

    Science.gov (United States)

    Patrick, Christopher E; Giustino, Feliciano

    2012-09-14

    Investigating quasiparticle excitations of molecules on surfaces through photoemission spectroscopy forms a major part of nanotechnology research. Resolving spectral features at these interfaces requires a comprehensive theory of electron removal and addition processes in molecules and solids which captures the complex interplay of image charges, thermal effects, and configurational disorder. Here, we develop such a theory and calculate the quasiparticle energy-level alignment and the valence photoemission spectrum for the prototype biomimetic solar cell interface between anatase TiO(2) and the N3 chromophore. By directly matching our calculated photoemission spectrum to experimental data, we clarify the atomistic origin of the chromophore peak at low binding energy. This case study sets a new standard in the interpretation of photoemission spectroscopy at complex chromophore-semiconductor interfaces.

  14. Internuclear Separation Dependent Ionization of the Valence Orbitals of I2 by Strong Laser Fields

    Science.gov (United States)

    Chen, H.; Tagliamonti, V.; Gibson, G. N.

    2012-11-01

    Using a pump-dump-probe technique and Fourier-transform spectroscopy, we study the internuclear separation R dependence and relative strength of the ionization rates of the π and σ electrons of I2, whose valence orbitals are σg2πu4πg4σu0. We find that ionization of the highest occupied molecular orbital (HOMO)-2 (σg) has a strong dependence on R while the HOMO and HOMO-1 do not. Surprisingly, the ionization rate of the HOMO-2 exceeds the combined ionization rate of the less bound orbitals and this branching ratio increases with R. Since our technique produces target molecules that are highly aligned with the laser polarization, the σ orbitals will be preferentially ionized and undergo enhanced ionization at larger R compared to the π orbitals. Nevertheless, it is highly unusual that an inner orbital provides the dominant strong field ionization pathway in a small molecule.

  15. Modulation of motor-meaning congruity effects for valenced words

    OpenAIRE

    Brookshire, Geoffrey; Ivry, Richard; Casasanto, Daniel

    2010-01-01

    We investigated the extent to which emotionally valenced words automatically cue spatio-motor representations. Participants made speeded button presses, moving their hand upward or downward while viewing words with positive or negative valence. Only the color of the words was relevant to the response; on target trials, there was no requirement to read the words or process their meaning. In Experiment 1, upward responses were faster for positive words, and downward for negative words. This eff...

  16. Evaluation of a color fused dual-band NVG

    NARCIS (Netherlands)

    Hogervorst, M.A.; Toet, A.

    2009-01-01

    We designed and evaluated a dual-band Night Vision Goggles sensor system. The sensor system consists of two optically aligned NVGs fitted with filters splitting the sensitive range into a visual and a near-infrared band. The Color-the-night technique (Hogervorst & Toet, FUSION2008) was used to fuse

  17. Valence band states in Si-based p-type delta-doped field effect transistors

    International Nuclear Information System (INIS)

    Martinez-Orozco, J C; Vlaev, Stoyan J

    2009-01-01

    We present tight-binding calculations of the hole level structure of δ-doped Field Effect Transistor in a Si matrix within the first neighbors sp 3 s* semi-empirical tight-binding model including spin. We employ analytical expressions for Schottky barrier potential and the p-type δ-doped well based on a Thomas-Fermi approximation, we consider these potentials as external ones, so in the computations they are added to the diagonal terms of the tight-binding Hamiltonian, by this way we have the possibility to study the energy levels behavior as we vary the backbone parameters in the system: the two-dimensional impurity density (p 2d ) of the p-type δ-doped well and the contact voltage (V c ). The aim of this calculation is to demonstrate that the tight-binding approximation is suitable for device characterization that permits us to propose optimal values for the input parameters involved in the device design.

  18. Valence and conduction band offsets of β-Ga2O3/AlN heterojunction

    KAUST Repository

    Sun, Haiding; Torres Castanedo, C. G.; Liu, Kaikai; Li, Kuang-Hui; Guo, Wenzhe; Lin, Ronghui; Liu, Xinwei; Li, Jingtao; Li, Xiaohang

    2017-01-01

    Both β-Ga2O3 and wurtzite AlN have wide bandgaps of 4.5–4.9 and 6.1 eV, respectively. We calculated the in-plane lattice mismatch between the (−201) plane of β-Ga2O3 and the (0002) plane of AlN, which was found to be 2.4%. This is the smallest

  19. State density of valence-band tail and photoconductivity amorphous hydrogenated silicon

    International Nuclear Information System (INIS)

    Golikova, O.A.; Domashevskaya, Eh.P.; Mezdrogina, M.M.; Sorokina, K.L.; Terekhov, V.A.; Trostyanskij, S.N.

    1991-01-01

    Relation between photoconductivity and g(ε) mobility gap within the range adjoining to the top (mobility end) of valent zone (VZ tail) in a-Si:H film is studied. Stationary photoconductivity within spectral maximum range (χ=0.63μm) at Φ=10 17 photxcm -2 s -1 flow is measured. Density of g(ε) states are controlled using ultrasoft X-ray emission spectroscopy. It is shown, that correlation between photoconductivity and width of VZ tail may reflect the fact of their similar dependence o film heterogeneity: at the increase of share of microholes there occur both expansion of VZ tail and growth of number of respective hydrogen complexes and torn relations which results in drop of photoconductivity

  20. Photoemission intensity oscillations in the valence bands of C70 film

    International Nuclear Information System (INIS)

    Li Yanjun; Wang Peng; Ni Jingfu; Meng Liang; Wang Xiaobo; Sheng Chunqi; Li Hongnian; Zhang Wenhua; Xu Yang; Xu Faqiang; Zhu Junfa

    2011-01-01

    Highlights: → The article develops a procedure for obtaining the accurate spectral intensities in the studies of the photoionization cross-section oscillation of C 70 . → The article fulfills the observation of all oscillating periods of the cross-section oscillation of C 70 . → The article reports the oscillating data for more molecular orbitals (feature C in the article) as compared with the published works. → The article reveals that some simple theoretical models based on the spherical symmetric approximation survive for the ellipsoidally shaped C 70 . - Abstract: We have measured and analyzed the photoemission spectra (PES) of a C 70 film in the photon energy region from 13.4 eV to 98.4 eV. The photoelectron intensities of two C 2p π-derived features (denoted by A and B) oscillate regularly in the whole energy region with some fine structures below ∼30 eV. To obtain the detailed information of the oscillations, we have developed a sophisticated but practical procedure for intensity calculation. The procedure consists of two core concepts. The first is ascribing the PES features to their corresponding molecular orbitals with the help of density functional calculations. The second is a background subtraction algorithm. With this procedure, we obtained the oscillating behavior for individual features (A and B), which is by and large consistent with the predictions based on the spherical symmetric approximation although C 70 has the ellipsoidal shape. Owing to the solid state effect, the oscillating amplitudes of the A/B intensity ratios are smaller than those of gas phase C 70 , but an orbital shift reported recently was not observed on our sample. The oscillating curve of a deeper feature, which consists of both σ and π states, are also reported.

  1. Valence band states in Si-based p-type delta-doped field effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Martinez-Orozco, J C; Vlaev, Stoyan J, E-mail: jcmover@correo.unam.m [Unidad Academica de Fisica, Universidad Autonoma de Zacatecas, Calzada Solidaridad esquina con Paseo la Bufa S/N, C.P. 98060, Zacatecas, Zac. (Mexico)

    2009-05-01

    We present tight-binding calculations of the hole level structure of delta-doped Field Effect Transistor in a Si matrix within the first neighbors sp{sup 3}s* semi-empirical tight-binding model including spin. We employ analytical expressions for Schottky barrier potential and the p-type delta-doped well based on a Thomas-Fermi approximation, we consider these potentials as external ones, so in the computations they are added to the diagonal terms of the tight-binding Hamiltonian, by this way we have the possibility to study the energy levels behavior as we vary the backbone parameters in the system: the two-dimensional impurity density (p{sub 2d}) of the p-type delta-doped well and the contact voltage (V{sub c}). The aim of this calculation is to demonstrate that the tight-binding approximation is suitable for device characterization that permits us to propose optimal values for the input parameters involved in the device design.

  2. Band Offset Measurements in Atomic-Layer-Deposited Al2O3/Zn0.8Al0.2O Heterojunction Studied by X-ray Photoelectron Spectroscopy.

    Science.gov (United States)

    Yan, Baojun; Liu, Shulin; Heng, Yuekun; Yang, Yuzhen; Yu, Yang; Wen, Kaile

    2017-12-01

    Pure aluminum oxide (Al 2 O 3 ) and zinc aluminum oxide (Zn x Al 1-x O) thin films were deposited by atomic layer deposition (ALD). The microstructure and optical band gaps (E g ) of the Zn x Al 1-x O (0.2 ≤ x ≤ 1) films were studied by X-ray diffractometer and Tauc method. The band offsets and alignment of atomic-layer-deposited Al 2 O 3 /Zn 0.8 Al 0.2 O heterojunction were investigated in detail using charge-corrected X-ray photoelectron spectroscopy. In this work, different methodologies were adopted to recover the actual position of the core levels in insulator materials which were easily affected by differential charging phenomena. Valence band offset (ΔE V ) and conduction band offset (ΔE C ) for the interface of the Al 2 O 3 /Zn 0.8 Al 0.2 O heterojunction have been constructed. An accurate value of ΔE V  = 0.82 ± 0.12 eV was obtained from various combinations of core levels of heterojunction with varied Al 2 O 3 thickness. Given the experimental E g of 6.8 eV for Al 2 O 3 and 5.29 eV for Zn 0.8 Al 0.2 O, a type-I heterojunction with a ΔE C of 0.69 ± 0.12 eV was found. The precise determination of the band alignment of Al 2 O 3 /Zn 0.8 Al 0.2 O heterojunction is of particular importance for gaining insight to the design of various electronic devices based on such heterointerface.

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

    Science.gov (United States)

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

    2017-02-01

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

  4. Explaining the effect of event valence on unrealistic optimism.

    Science.gov (United States)

    Gold, Ron S; Brown, Mark G

    2009-05-01

    People typically exhibit 'unrealistic optimism' (UO): they believe they have a lower chance of experiencing negative events and a higher chance of experiencing positive events than does the average person. UO has been found to be greater for negative than positive events. This 'valence effect' has been explained in terms of motivational processes. An alternative explanation is provided by the 'numerosity model', which views the valence effect simply as a by-product of a tendency for likelihood estimates pertaining to the average member of a group to increase with the size of the group. Predictions made by the numerosity model were tested in two studies. In each, UO for a single event was assessed. In Study 1 (n = 115 students), valence was manipulated by framing the event either negatively or positively, and participants estimated their own likelihood and that of the average student at their university. In Study 2 (n = 139 students), valence was again manipulated and participants again estimated their own likelihood; additionally, group size was manipulated by having participants estimate the likelihood of the average student in a small, medium-sized, or large group. In each study, the valence effect was found, but was due to an effect on estimates of own likelihood, not the average person's likelihood. In Study 2, valence did not interact with group size. The findings contradict the numerosity model, but are in accord with the motivational explanation. Implications for health education are discussed.

  5. Valence, arousal and cognitive control: A voluntary task switching study

    Directory of Open Access Journals (Sweden)

    Jelle eDemanet

    2011-11-01

    Full Text Available The present study focused on the interplay between arousal, valence and cognitive control. To this end, we investigated how arousal and valence associated with affective stimuli influenced cognitive flexibility when switching between tasks voluntarily. Three hypotheses were tested. First, a valence hypothesis that states that the positive valence of affective stimuli will facilitate both global and task-switching performance because of increased cognitive flexibility. Second, an arousal hypothesis that states that arousal, and not valence, will specifically impair task-switching performance by strengthening the previously executed task-set. Third, an attention hypothesis that states that both cognitive and emotional control ask for limited attentional resources, and predicts that arousal will impair both global and task-switching performance. The results showed that arousal affected task-switching but not global performance, possibly by phasic modulations of the noradrenergic system that reinforces the previously executed task. In addition, positive valence only affected global performance but not task-switching performance, possibly by phasic modulations of dopamine that stimulates the general ability to perform in a multitasking environment.

  6. Emotional valence and the free-energy principle.

    Science.gov (United States)

    Joffily, Mateus; Coricelli, Giorgio

    2013-01-01

    The free-energy principle has recently been proposed as a unified Bayesian account of perception, learning and action. Despite the inextricable link between emotion and cognition, emotion has not yet been formulated under this framework. A core concept that permeates many perspectives on emotion is valence, which broadly refers to the positive and negative character of emotion or some of its aspects. In the present paper, we propose a definition of emotional valence in terms of the negative rate of change of free-energy over time. If the second time-derivative of free-energy is taken into account, the dynamics of basic forms of emotion such as happiness, unhappiness, hope, fear, disappointment and relief can be explained. In this formulation, an important function of emotional valence turns out to regulate the learning rate of the causes of sensory inputs. When sensations increasingly violate the agent's expectations, valence is negative and increases the learning rate. Conversely, when sensations increasingly fulfil the agent's expectations, valence is positive and decreases the learning rate. This dynamic interaction between emotional valence and learning rate highlights the crucial role played by emotions in biological agents' adaptation to unexpected changes in their world.

  7. Emotional valence and the free-energy principle.

    Directory of Open Access Journals (Sweden)

    Mateus Joffily

    Full Text Available The free-energy principle has recently been proposed as a unified Bayesian account of perception, learning and action. Despite the inextricable link between emotion and cognition, emotion has not yet been formulated under this framework. A core concept that permeates many perspectives on emotion is valence, which broadly refers to the positive and negative character of emotion or some of its aspects. In the present paper, we propose a definition of emotional valence in terms of the negative rate of change of free-energy over time. If the second time-derivative of free-energy is taken into account, the dynamics of basic forms of emotion such as happiness, unhappiness, hope, fear, disappointment and relief can be explained. In this formulation, an important function of emotional valence turns out to regulate the learning rate of the causes of sensory inputs. When sensations increasingly violate the agent's expectations, valence is negative and increases the learning rate. Conversely, when sensations increasingly fulfil the agent's expectations, valence is positive and decreases the learning rate. This dynamic interaction between emotional valence and learning rate highlights the crucial role played by emotions in biological agents' adaptation to unexpected changes in their world.

  8. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    G. Gomez

    Since December, the muon alignment community has focused on analyzing the data recorded so far in order to produce new DT and CSC Alignment Records for the second reprocessing of CRAFT data. Two independent algorithms were developed which align the DT chambers using global tracks, thus providing, for the first time, a relative alignment of the barrel with respect to the tracker. These results are an important ingredient for the second CRAFT reprocessing and allow, for example, a more detailed study of any possible mis-modelling of the magnetic field in the muon spectrometer. Both algorithms are constructed in such a way that the resulting alignment constants are not affected, to first order, by any such mis-modelling. The CSC chambers have not yet been included in this global track-based alignment due to a lack of statistics, since only a few cosmics go through the tracker and the CSCs. A strategy exists to align the CSCs using the barrel as a reference until collision tracks become available. Aligning the ...

  9. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    G.Gomez

    2011-01-01

    The Muon Alignment work now focuses on producing a new track-based alignment with higher track statistics, making systematic studies between the results of the hardware and track-based alignment methods and aligning the barrel using standalone muon tracks. Currently, the muon track reconstruction software uses a hardware-based alignment in the barrel (DT) and a track-based alignment in the endcaps (CSC). An important task is to assess the muon momentum resolution that can be achieved using the current muon alignment, especially for highly energetic muons. For this purpose, cosmic ray muons are used, since the rate of high-energy muons from collisions is very low and the event statistics are still limited. Cosmics have the advantage of higher statistics in the pT region above 100 GeV/c, but they have the disadvantage of having a mostly vertical topology, resulting in a very few global endcap muons. Only the barrel alignment has therefore been tested so far. Cosmic muons traversing CMS from top to bottom are s...

  10. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    Gervasio Gomez

    The main progress of the muon alignment group since March has been in the refinement of both the track-based alignment for the DTs and the hardware-based alignment for the CSCs. For DT track-based alignment, there has been significant improvement in the internal alignment of the superlayers inside the DTs. In particular, the distance between superlayers is now corrected, eliminating the residual dependence on track impact angles, and good agreement is found between survey and track-based corrections. The new internal geometry has been approved to be included in the forthcoming reprocessing of CRAFT samples. The alignment of DTs with respect to the tracker using global tracks has also improved significantly, since the algorithms use the latest B-field mapping, better run selection criteria, optimized momentum cuts, and an alignment is now obtained for all six degrees of freedom (three spatial coordinates and three rotations) of the aligned DTs. This work is ongoing and at a stage where we are trying to unders...

  11. Quantized wobbling excitations with alignments

    International Nuclear Information System (INIS)

    Hamamoto, Ikuko; Hagemann, Gudrun B.

    2003-01-01

    The wobbling excitations in the presence of an appreciable amount of alignment are expected to appear more easily at lower angular momenta of the yrast spectra, compared with those in the textbook example. The large B(E2;I→I-1) value for Δn=1 transitions where n expresses the number of wobbling phonons is shown to be a strongly increasing function of the triaxiality parameter γ, especially for γ > or approx. +20 deg., while it is relatively independent of moments of inertia. On the other hand, the relation of the wobbling phonon energy to the total angular momentum may be used to extract quantitative information on nuclear moments of inertia. It is concluded that the γ value of the triaxial, strongly deformed bands in 163 Lu is about equal to +20 deg. and may be slightly increasing as a function of I

  12. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    G. Gomez

    2011-01-01

    A new set of muon alignment constants was approved in August. The relative position between muon chambers is essentially unchanged, indicating good detector stability. The main changes concern the global positioning of the barrel and of the endcap rings to match the new Tracker geometry. Detailed studies of the differences between track-based and optical alignment of DTs have proven to be a valuable tool for constraining Tracker alignment weak modes, and this information is now being used as part of the alignment procedure. In addition to the “split-cosmic” analysis used to investigate the muon momentum resolution at high momentum, a new procedure based on reconstructing the invariant mass of di-muons from boosted Zs is under development. Both procedures show an improvement in the momentum precision of Global Muons with respect to Tracker-only Muons. Recent developments in track-based alignment include a better treatment of the tails of residual distributions and accounting for correla...

  13. Valence effects on adsorption: a preliminary assessment of the effects on valence state control on sorption measurements

    International Nuclear Information System (INIS)

    Meyer, R.E.; Arnold, W.D.; Case, F.; Shiao, S.Y.; Palmer, D.A.

    1983-01-01

    Electrochemical arguments are advanced to illustrate that what is usually measured in practice is a mixed potential determined by the kinetics of the electrode processes occurring at the indicator electrode. Valence states can be altered electrochemically or by use of added chemical reagents, including redox couples which can hold the potential to relatively specific potentials. The disadvantage of added chemical reagents is that they may alter the characteristics of the sorption reactions by interaction with the sorbent. Electrochemical methods are versatile and do not add reagents, but in some caes the nuclide can adsorb on the electrode itself. A description is given of the application of the electrochemical method of valence control to determination of sorption of Np(V) on alumina. Valence state control and analysis can be used to study possible redox reactions on materials which might be used as backfill materials. A description is given of survey experiments with a number of sulfides and iron-containing materials. Valence state analysis is used on the initial solutions and leachate from acid leaches of the sorbent after the sorption experiment to help determine whether valence state change is occurring. The preliminary results indicate that on the sulfides tested, sorption occurs both with and without valence state change

  14. Electrical properties and band structures of Pb1-x Snx Te alloys

    International Nuclear Information System (INIS)

    Ocio, Miguel

    1972-01-01

    Both p type alloys Pb 0.72 Sn 0.28 Te and Pb 0.53 Sn 0.47 Te have been studied in the present work. The main obtained results are the following: the materials have a two-valence band structure, the first band following non-parabolic Cohen's dispersion law; at low temperatures, carriers are scattered by ionized impurities; the Coulomb potentials being screened almost completely, impurities act like neutral centers. At room temperature, scattering by acoustic modes can explain lattice mobility behavior; reversing of the thermo-power, for samples with carrier densities of about 10 20 cm -3 , is possibly due to inter-band scattering between both valence bands; a very simple picture of the band parameters variations as a function of alloy fraction is suggested. (author) [fr

  15. Observation of the c-f hybridization effect in valence-transition system EuPtP

    Energy Technology Data Exchange (ETDEWEB)

    Anzai, Hiroaki; Ichiki, Katsuya [Graduate School of Engineering, Osaka Prefecture University, Sakai (Japan); Schwier, Eike F.; Iwasawa, Hideaki; Arita, Masashi; Sato, Hitoshi; Shimada, Kenya; Namatame, Hirofumi; Taniguchi, Masaki [Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima (Japan); Mitsuda, Akihiro; Wada, Hirofumi [Graduate School of Science, Kyushu University, Fukuoka (Japan); Mimura, Kojiro [Graduate School of Engineering, Osaka Prefecture University, Sakai (Japan); Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima (Japan)

    2017-06-15

    We study the electronic structure of EuPtP, which exhibits two first-order valence transitions at T{sub 1} = 247 K and T{sub 2} = 201 K, using angle-resolved photoemission spectroscopy. Below T{sub 2}, we observe an energy gap at the crossing point of the bulk Eu 4f and conduction bands. The shape of band dispersions is described by a hybridization-band picture based on the periodic Anderson model. Our results demonstrate the c-f hybridization effect in the low-temperature phase of EuPtP. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Belt Aligning Revisited

    Directory of Open Access Journals (Sweden)

    Yurchenko Vadim

    2017-01-01

    parts of the conveyor, the sides of the belt wear intensively. This results in reducing the life of the belt. The reasons for this phenomenon are well investigated, but the difficulty lies in the fact that they all act simultaneously. The belt misalignment prevention can be carried out in two ways: by minimizing the effect of causes and by aligning the belt. The construction of aligning devices and errors encountered in practice are considered in this paper. Self-aligning roller supports rotational in plan view are recommended as a means of combating the belt misalignment.

  17. Hybrid vehicle motor alignment

    Science.gov (United States)

    Levin, Michael Benjamin

    2001-07-03

    A rotor of an electric motor for a motor vehicle is aligned to an axis of rotation for a crankshaft of an internal combustion engine having an internal combustion engine and an electric motor. A locator is provided on the crankshaft, a piloting tool is located radially by the first locator to the crankshaft. A stator of the electric motor is aligned to a second locator provided on the piloting tool. The stator is secured to the engine block. The rotor is aligned to the crankshaft and secured thereto.

  18. Precision alignment device

    Science.gov (United States)

    Jones, N.E.

    1988-03-10

    Apparatus for providing automatic alignment of beam devices having an associated structure for directing, collimating, focusing, reflecting, or otherwise modifying the main beam. A reference laser is attached to the structure enclosing the main beam producing apparatus and produces a reference beam substantially parallel to the main beam. Detector modules containing optical switching devices and optical detectors are positioned in the path of the reference beam and are effective to produce an electrical output indicative of the alignment of the main beam. This electrical output drives servomotor operated adjustment screws to adjust the position of elements of the structure associated with the main beam to maintain alignment of the main beam. 5 figs.

  19. Alignment for CSR

    International Nuclear Information System (INIS)

    Wang Shoujin; Man Kaidi; Guo Yizhen; Cai Guozhu; Guo Yuhui

    2002-01-01

    Cooled Storage Ring of Heavy Ion Research Facility in Lanzhou (HIRFL-CSR) belongs to China great scientific project in China. The alignment for it is very difficult because of very large area and very high accuracy. For the special case in HIRFL-CSR, some new methods and new instruments are used, including the construction of survey control network, the usage of laser tracker, and CSR alignment database system with applications developed to store and analyze data. The author describes the whole procedure of CSR alignment

  20. Methods in ALFA Alignment

    CERN Document Server

    Melendez, Jordan

    2014-01-01

    This note presents two model-independent methods for use in the alignment of the ALFA forward detectors. Using a Monte Carlo simulated LHC run at \\beta = 90m and \\sqrt{s} = 7 TeV, the Kinematic Peak alignment method is utilized to reconstruct the Mandelstam momentum transfer variable t for single-diractive protons. The Hot Spot method uses fluctuations in the hitmap density to pinpoint particular regions in the detector that could signal a misalignment. Another method uses an error function fit to find the detector edge. With this information, the vertical alignment can be determined.

  1. Study of band terminating in the A {approx_equal} 100 by EUROGAM; Recherche de terminaisons de bandes dans la region A {approx_equal} 100 avec EUROGAM

    Energy Technology Data Exchange (ETDEWEB)

    Gizon, J.; Gizon, A.; Genevey, J.; Santos, D. [Inst. des Sciences Nucleaires, Grenoble-1 Univ., 38 (France); Nyako, B.M.; Timar, J.; Zolnai, L. [Institute of Nuclear Research, Debrecen (Hungary); Boston, A.J.; Zoss, D.T.; Paul, E.S.; Semple, A.T. [Oliver Lodge Laboratory, University of Liverpool, Liverpool (United Kingdom); O`Brien, N.J.; Parry, C.M. [Department of Physics, University of York, Heslington, York (United Kingdom); Cata-Danil, Gh.; Bucurescu, D. [Horia Hulubei Institute of Physics and Nuclear Engineering, Bucharest (Romania); Afanasjev, A.V.; Ragnarsson, I. [Department of Mathematical Physics, University of Lund, Lund (Sweden)

    1997-12-31

    Terminating bands in nuclei in the A{approx_equal} 100 region have been investigated using the EUROGAM2 array. Results have been obtained for Pd (Z 46) and Rh (Z = 45) isotopes. In the nucleus {sup 102}Pd, eight terminating configurations are identified. It is the first nucleus where terminating bands built on the valence space configurations and on core excited configurations are observed. Terminating bands have been also found in {sup 103}Pd and {sup 102}Rh. For {sup 102}Rh it is the first case of band terminations identified in a doubly-odd nucleus below the Z = 50 shell closure. (authors) 9 refs., 2 figs.

  2. Congenital Constriction Band Syndrome

    OpenAIRE

    Rajesh Gupta, Fareed Malik, Rishabh Gupta, M.A.Basit, Dara Singh

    2008-01-01

    Congenital constriction bands are anomalous bands that encircle a digit or an extremity. Congenitalconstriction band syndrome is rare condition and is mostly associated with other musculoskeletaldisorders.We report such a rare experience.

  3. The marginal band system in nymphalid butterfly wings.

    Science.gov (United States)

    Taira, Wataru; Kinjo, Seira; Otaki, Joji M

    2015-01-01

    Butterfly wing color patterns are highly complex and diverse, but they are believed to be derived from the nymphalid groundplan, which is composed of several color pattern systems. Among these pattern systems, the marginal band system, including marginal and submarginal bands, has rarely been studied. Here, we examined the color pattern diversity of the marginal band system among nymphalid butterflies. Marginal and submarginal bands are usually expressed as a pair of linear bands aligned with the wing margin. However, a submarginal band can be expressed as a broken band, an elongated oval, or a single dot. The marginal focus, usually a white dot at the middle of a wing compartment along the wing edge, corresponds to the pupal edge spot, one of the pupal cuticle spots that signify the locations of color pattern organizing centers. A marginal band can be expressed as a semicircle, an elongated oval, or a pair of eyespot-like structures, which suggest the organizing activity of the marginal focus. Physical damage at the pupal edge spot leads to distal dislocation of the submarginal band in Junonia almana and in Vanessa indica, suggesting that the marginal focus functions as an organizing center for the marginal band system. Taken together, we conclude that the marginal band system is developmentally equivalent to other symmetry systems. Additionally, the marginal band is likely a core element and the submarginal band a paracore element of the marginal band system, and both bands are primarily specified by the marginal focus organizing center.

  4. Effects of valence and divided attention on cognitive reappraisal processes.

    Science.gov (United States)

    Morris, John A; Leclerc, Christina M; Kensinger, Elizabeth A

    2014-12-01

    Numerous studies have investigated the neural substrates supporting cognitive reappraisal, identifying the importance of cognitive control processes implemented by prefrontal cortex (PFC). This study examined how valence and attention affect the processes used for cognitive reappraisal by asking participants to passively view or to cognitively reappraise positive and negative images with full or divided attention. When participants simply viewed these images, results revealed few effects of valence or attention. However, when participants engaged in reappraisal, there was a robust effect of valence, with the reappraisal of negative relative to positive images associated with more widespread activation, including within regions of medial and lateral PFC. There also was an effect of attention, with more lateral PFC recruitment when regulating with full attention and more medial PFC recruitment when regulating with divided attention. Within two regions of medial PFC and one region of ventrolateral PFC, there was an interaction between valence and attention: in these regions, divided attention reduced activity during reappraisal of positive but not negative images. Critically, participants continued to report reappraisal success even during the Divided Attention condition. These results suggest multiple routes to successful cognitive reappraisal, depending upon image valence and the availability of attentional resources. © The Author (2014). Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

  5. The acoustic correlates of valence depend on emotion family.

    Science.gov (United States)

    Belyk, Michel; Brown, Steven

    2014-07-01

    The voice expresses a wide range of emotions through modulations of acoustic parameters such as frequency and amplitude. Although the acoustics of individual emotions are well understood, attempts to describe the acoustic correlates of broad emotional categories such as valence have yielded mixed results. In the present study, we analyzed the acoustics of emotional valence for different families of emotion. We divided emotional vocalizations into "motivational," "moral," and "aesthetic" families as defined by the OCC (Ortony, Clore, and Collins) model of emotion. Subjects viewed emotional scenarios and were cued to vocalize congruent exclamations in response to them, for example, "Yay!" and "Damn!". Positive valence was weakly associated with high-pitched and loud vocalizations. However, valence interacted with emotion family for both pitch and amplitude. A general acoustic code for valence does not hold across families of emotion, whereas family-specific codes provide a more accurate description of vocal emotions. These findings are consolidated into a set of "rules of expression" relating vocal dimensions to emotion dimensions. Copyright © 2014 The Voice Foundation. Published by Mosby, Inc. All rights reserved.

  6. Space-Valence Priming with Subliminal and Supraliminal Words

    Directory of Open Access Journals (Sweden)

    Ulrich eAnsorge

    2013-02-01

    Full Text Available To date it is unclear whether (1 awareness-independent non-evaluative semantic processes influence affective semantics and whether (2 awareness-independent affective semantics influence non-evaluative semantic processing. In the current study, we investigated these questions with the help of subliminal (masked primes and visible targets in a space-valence across-category congruence effect. In line with (1, we found that subliminal space prime words influenced valence classification of supraliminal target words (Experiment 1: Classifications were faster with a congruent prime (e.g., the prime ‘up’ before the target ‘happy’ than with an incongruent prime (e.g., the prime ‘up’ before the target ‘sad’. In contrast to (2, no influence of subliminal valence primes on the classification of supraliminal space targets into up- and down-words was found (Experiment 2. Control conditions showed that standard masked response-priming effects were found with both subliminal prime types, and that an across-category congruence effect was also found with supraliminal valence primes and spatial target words. The final Experiment 3 confirmed that the across-category congruence effect indeed reflected priming of target categorization of a relevant meaning category. Together, the data jointly confirmed prediction (1 that awareness-independent non-evaluative semantic priming influences valence judgments.

  7. Effects of valence and divided attention on cognitive reappraisal processes

    Science.gov (United States)

    Leclerc, Christina M.; Kensinger, Elizabeth A.

    2014-01-01

    Numerous studies have investigated the neural substrates supporting cognitive reappraisal, identifying the importance of cognitive control processes implemented by prefrontal cortex (PFC). This study examined how valence and attention affect the processes used for cognitive reappraisal by asking participants to passively view or to cognitively reappraise positive and negative images with full or divided attention. When participants simply viewed these images, results revealed few effects of valence or attention. However, when participants engaged in reappraisal, there was a robust effect of valence, with the reappraisal of negative relative to positive images associated with more widespread activation, including within regions of medial and lateral PFC. There also was an effect of attention, with more lateral PFC recruitment when regulating with full attention and more medial PFC recruitment when regulating with divided attention. Within two regions of medial PFC and one region of ventrolateral PFC, there was an interaction between valence and attention: in these regions, divided attention reduced activity during reappraisal of positive but not negative images. Critically, participants continued to report reappraisal success even during the Divided Attention condition. These results suggest multiple routes to successful cognitive reappraisal, depending upon image valence and the availability of attentional resources. PMID:24493837

  8. Social learning modulates the lateralization of emotional valence.

    Science.gov (United States)

    Shamay-Tsoory, Simone G; Lavidor, Michal; Aharon-Peretz, Judith

    2008-08-01

    Although neuropsychological studies of lateralization of emotion have emphasized valence (positive vs. negative) or type (basic vs. complex) dimensions, the interaction between the two dimensions has yet to be elucidated. The purpose of the current study was to test the hypothesis that recognition of basic emotions is processed preferentially by the right prefrontal cortex (PFC), whereas recognition of complex social emotions is processed preferentially by the left PFC. Experiment 1 assessed the ability of healthy controls and patients with right and left PFC lesions to recognize basic and complex emotions. Experiment 2 modeled the patient's data of Experiment 1 on healthy participants under lateralized displays of the emotional stimuli. Both experiments support the Type as well as the Valence Hypotheses. However, our findings indicate that the Valence Hypothesis holds for basic but less so for complex emotions. It is suggested that, since social learning overrules the basic preference of valence in the hemispheres, the processing of complex emotions in the hemispheres is less affected by valence.

  9. OBSERVATIONS OF ENHANCED RADIATIVE GRAIN ALIGNMENT NEAR HD 97300

    International Nuclear Information System (INIS)

    Andersson, B-G; Potter, S. B.

    2010-01-01

    We have obtained optical multi-band polarimetry toward sightlines through the Chamaeleon I cloud, particularly in the vicinity of the young B9/A0 star HD 97300. We show, in agreement with earlier studies, that the radiation field impinging on the cloud in the projected vicinity of the star is dominated by the flux from the star, as evidenced by a local enhancement in the grain heating. By comparing the differential grain heating with the differential change in the location of the peak of the polarization curve, we show that the grain alignment is enhanced by the increase in the radiation field. We also find a weak, but measurable, variation in the grain alignment with the relative angle between the radiation field anisotropy and the magnetic field direction. Such an anisotropy in the grain alignment is consistent with a unique prediction of modern radiative alignment torque theory and provides direct support for radiatively driven grain alignment.

  10. Dimensionality and its effects upon the valence electronic structure of ordered metallic systems

    International Nuclear Information System (INIS)

    Tobin, J.G.

    1983-07-01

    The system c(10x2)Ag/Cu(001) was investigated with Angle-Resolved Photoemission (ARP), Low Energy Electron Diffraction (LEED) and Auger Electron Spectroscopy (AES). LEED and AES provided the calibration of a quartz microbalance used to measure the amount of silver evaporated onto the copper single crystal and also established the monolayer geometrical structure at one monolayer exposure. An off-normal ARP bandmapping study performed with polarized HeI and NeI radiation demonstrated the electronically two-dimensional nature of the silver d-bands at coverages of near one monolayer. The states at the surface Brillouin Zone center were assigned upon the basis of their polarization dependences and a structural model of hexagonal symmetry. A normal emission ARP experiment was performed at the Stanford Synchrotron Radiation Laboratory (SSRL) over the photon energy range of 6 to 32 eV. Data from it documented the evolution of the valence electronic structure of the silver overlayer from a two-dimensional hexagonal valence to a three-dimensional behavior converging towards that of bulk Ag(111). A structural study was attempted using the ARP technique of Normal Emission Photoelectron Diffraction over the photon energy range of 3.4 to 3.7 keV at SSRL, the results of which are inconclusive

  11. Universality class of non-Fermi liquid behaviour in mixed valence systems

    International Nuclear Information System (INIS)

    Zhang Guangming; Su Zhaobin; Lu Yu

    1995-11-01

    A generalized Anderson single-impurity model with off-site Coulomb interactions is derived from the extended three-band Hubbard model, originally proposed to describe the physics of the copper-oxides. Using the abelian bosonization technique and canonical transformations, an effective Hamiltonian is derived in the strong coupling limit, which is essentially analogous to the Toulouse limit of the ordinary Kondo problem. In this limit, the effective Hamiltonian can be exactly solved, with a mixed valence quantum critical point separating two different Fermi liquid phases, i.e. the Kondo phase and the empty orbital phase. In the mixed valence quantum critical regime, the local moment is only partially quenched and X-ray edge singularities are generated. Around the quantum critical point, a new type of non-Fermi liquid behaviour is predicted with an extra specific heat C imp ∼ T 1/4 and a singular spin-susceptibility χ imp ∼ T -3/4 . At the same time, the effective Hamiltonian under single occupancy is transformed into a resonant-level model, from which the correct Kondo physical properties (specific heat, spin susceptibility, and an enhanced Wilson ratio) are easily rederived. Finally, a brief discussion is given to relate these theoretical results to observations in U Pd x Cu 5-x (x=1, 1.5) alloys, which show single-impurity critical behaviour consistent with our predictions. (author). 30 refs

  12. Universality class of non-Fermi-liquid behavior in mixed-valence systems

    Science.gov (United States)

    Zhang, Guang-Ming; Su, Zhao-Bin; Yu, Lu

    1996-01-01

    A generalized Anderson single-impurity model with off-site Coulomb interactions is derived from the extended three-band Hubbard model, originally proposed to describe the physics of the copper oxides. Using the Abelian bosonization technique and canonical transformations, an effective Hamiltonian is derived in the strong-coupling limit, which is essentially analogous to the Toulouse limit of the ordinary Kondo problem. In this limit, the effective Hamiltonian can be exactly solved, with a mixed-valence quantum critical point separating two different Fermi-liquid phases, i.e., the Kondo phase and the empty orbital phase. In the mixed-valence quantum critical regime, the local moment is only partially quenched and x-ray edge singularities are generated. Around the quantum critical point, a type of non-Fermi-liquid behavior is predicted with an extra specific heat Cimp~T1/4 and a singular spin susceptibility χimp~T-3/4. At the same time, the effective Hamiltonian under single occupancy is transformed into a resonant-level model, from which the correct Kondo physical properties (specific heat, spin susceptibility, and an enhanced Wilson ratio) are easily rederived. Finally, a brief discussion is given to relate these theoretical results to observations in UPdxCu5-x (x=1,1.5) alloys, which show single-impurity critical behavior consistent with our predictions.

  13. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    G.Gomez

    Since September, the muon alignment system shifted from a mode of hardware installation and commissioning to operation and data taking. All three optical subsystems (Barrel, Endcap and Link alignment) have recorded data before, during and after CRAFT, at different magnetic fields and during ramps of the magnet. This first data taking experience has several interesting goals: •    study detector deformations and movements under the influence of the huge magnetic forces; •    study the stability of detector structures and of the alignment system over long periods, •    study geometry reproducibility at equal fields (specially at 0T and 3.8T); •    reconstruct B=0T geometry and compare to nominal/survey geometries; •    reconstruct B=3.8T geometry and provide DT and CSC alignment records for CMSSW. However, the main goal is to recons...

  14. Alignment of CEBAF cryomodules

    International Nuclear Information System (INIS)

    Schneider, W.J.; Bisognano, J.J.; Fischer, J.

    1993-06-01

    CEBAF, the Continuous Electron Beam Accelerator Facility, when completed, will house a 4 GeV recirculating accelerator. Each of the accelerator's two linacs contains 160 superconducting radio frequency (SRF) 1497 MHz niobium cavities in 20 cryomodules. Alignments of the cavities within the cryomodule with respect to beam axis is critical to achieving the optimum accelerator performance. This paper discusses the rationale for the current specification on cavity mechanical alignment: 2 mrad (rms) applied to the 0.5 m active length cavities. We describe the tooling that was developed to achieve the tolerance at the time of cavity pair assembly, to preserve and integrate alignment during cryomodule assembly, and to translate alignment to appropriate installation in the beam line

  15. Biaxial magnetic grain alignment

    International Nuclear Information System (INIS)

    Staines, M.; Genoud, J.-Y.; Mawdsley, A.; Manojlovic, V.

    2000-01-01

    Full text: We describe a dynamic magnetic grain alignment technique which can be used to produce YBCO thick films with a high degree of biaxial texture. The technique is, however, generally applicable to preparing ceramics or composite materials from granular materials with orthorhombic or lower crystal symmetry and is therefore not restricted to superconducting applications. Because magnetic alignment is a bulk effect, textured substrates are not required, unlike epitaxial coated tape processes such as RABiTS. We have used the technique to produce thick films of Y-247 on untextured silver substrates. After processing to Y-123 the films show a clear enhancement of critical current density relative to identically prepared untextured or uniaxially textured samples. We describe procedures for preparing materials using magnetic biaxial grain alignment with the emphasis on alignment in epoxy, which can give extremely high texture. X-ray rocking curves with FWHM of as little as 1-2 degrees have been measured

  16. Pairwise Sequence Alignment Library

    Energy Technology Data Exchange (ETDEWEB)

    2015-05-20

    Vector extensions, such as SSE, have been part of the x86 CPU since the 1990s, with applications in graphics, signal processing, and scientific applications. Although many algorithms and applications can naturally benefit from automatic vectorization techniques, there are still many that are difficult to vectorize due to their dependence on irregular data structures, dense branch operations, or data dependencies. Sequence alignment, one of the most widely used operations in bioinformatics workflows, has a computational footprint that features complex data dependencies. The trend of widening vector registers adversely affects the state-of-the-art sequence alignment algorithm based on striped data layouts. Therefore, a novel SIMD implementation of a parallel scan-based sequence alignment algorithm that can better exploit wider SIMD units was implemented as part of the Parallel Sequence Alignment Library (parasail). Parasail features: Reference implementations of all known vectorized sequence alignment approaches. Implementations of Smith Waterman (SW), semi-global (SG), and Needleman Wunsch (NW) sequence alignment algorithms. Implementations across all modern CPU instruction sets including AVX2 and KNC. Language interfaces for C/C++ and Python.

  17. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    S. Szillasi

    2013-01-01

    The CMS detector has been gradually opened and whenever a wheel became exposed the first operation was the removal of the MABs, the sensor structures of the Hardware Barrel Alignment System. By the last days of June all 36 MABs have arrived at the Alignment Lab at the ISR where, as part of the Alignment Upgrade Project, they are refurbished with new Survey target holders. Their electronic checkout is on the way and finally they will be recalibrated. During LS1 the alignment system will be upgraded in order to allow more precise reconstruction of the MB4 chambers in Sector 10 and Sector 4. This requires new sensor components, so called MiniMABs (pictured below), that have already been assembled and calibrated. Image 6: Calibrated MiniMABs are ready for installation For the track-based alignment, the systematic uncertainties of the algorithm are under scrutiny: this study will enable the production of an improved Monte Carlo misalignment scenario and to update alignment position errors eventually, crucial...

  18. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    G. Gomez

    2012-01-01

      A new muon alignment has been produced for 2012 A+B data reconstruction. It uses the latest Tracker alignment and single-muon data samples to align both DTs and CSCs. Physics validation has been performed and shows a modest improvement in stand-alone muon momentum resolution in the barrel, where the alignment is essentially unchanged from the previous version. The reference-target track-based algorithm using only collision muons is employed for the first time to align the CSCs, and a substantial improvement in resolution is observed in the endcap and overlap regions for stand-alone muons. This new alignment is undergoing the approval process and is expected to be deployed as part of a new global tag in the beginning of December. The pT dependence of the φ-bias in curvature observed in Monte Carlo was traced to a relative vertical misalignment between the Tracker and barrel muon systems. Moving the barrel as a whole to match the Tracker cures this pT dependence, leaving only the &phi...

  19. Wavelet-based study of valence-arousal model of emotions on EEG signals with LabVIEW.

    Science.gov (United States)

    Guzel Aydin, Seda; Kaya, Turgay; Guler, Hasan

    2016-06-01

    This paper illustrates the wavelet-based feature extraction for emotion assessment using electroencephalogram (EEG) signal through graphical coding design. Two-dimensional (valence-arousal) emotion model was studied. Different emotions (happy, joy, melancholy, and disgust) were studied for assessment. These emotions were stimulated by video clips. EEG signals obtained from four subjects were decomposed into five frequency bands (gamma, beta, alpha, theta, and delta) using "db5" wavelet function. Relative features were calculated to obtain further information. Impact of the emotions according to valence value was observed to be optimal on power spectral density of gamma band. The main objective of this work is not only to investigate the influence of the emotions on different frequency bands but also to overcome the difficulties in the text-based program. This work offers an alternative approach for emotion evaluation through EEG processing. There are a number of methods for emotion recognition such as wavelet transform-based, Fourier transform-based, and Hilbert-Huang transform-based methods. However, the majority of these methods have been applied with the text-based programming languages. In this study, we proposed and implemented an experimental feature extraction with graphics-based language, which provides great convenience in bioelectrical signal processing.

  20. Contribution to the study of higher valency states of americium

    International Nuclear Information System (INIS)

    Langlet, Jean.

    1976-01-01

    Study of the chemistry of the higher valencies of americium in aqueous solutions and especially the autoreduction phenomenon. First a purification method of americium solutions is studied by precipitation, solvent extraction and ion exchange chromatography. Studies of higher valency states chemical properties are disturbed by the autoreduction phenomenon changing Am VI and Am V in Am III more stable. Stabilization of higher valency states, characterized by a steady concentration of Am VI in solution, can be done by complexation of Am VI and Am V ions or by a protecting effect of foreign ions. The original medium used has a complexing effect by SO 4 2- ions and a protecting effect by the system S 2 O 8 2- -Ag + consuming H 2 O 2 main reducing agent produced by water radiolysis. These effects are shown by the study of Am VI in acid and basic solutions. A mechanism of the stabilization effect is given [fr

  1. Valence-to-core-detected X-ray absorption spectroscopy

    DEFF Research Database (Denmark)

    Hall, Eleanor R.; Pollock, Christopher J.; Bendix, Jesper

    2014-01-01

    X-ray absorption spectroscopy (XAS) can provide detailed insight into the electronic and geometric structures of transition-metal active sites in metalloproteins and chemical catalysts. However, standard XAS spectra inherently represent an average contribution from the entire coordination...... environment with limited ligand selectivity. To address this limitation, we have investigated the enhancement of XAS features using valence-to-core (VtC)-detected XAS, whereby XAS spectra are measured by monitoring fluorescence from valence-to-core X-ray emission (VtC XES) events. VtC emission corresponds...... to transitions from filled ligand orbitals to the metal 1s core hole, with distinct energetic shifts for ligands of differing ionization potentials. VtC-detected XAS data were obtained from multiple valence emission features for a series of well-characterized Mn model compounds; taken together, these data...

  2. Conduction Mechanism of Valence Change Resistive Switching Memory: A Survey

    Directory of Open Access Journals (Sweden)

    Ee Wah Lim

    2015-09-01

    Full Text Available Resistive switching effect in transition metal oxide (TMO based material is often associated with the valence change mechanism (VCM. Typical modeling of valence change resistive switching memory consists of three closely related phenomena, i.e., conductive filament (CF geometry evolution, conduction mechanism and temperature dynamic evolution. It is widely agreed that the electrochemical reduction-oxidation (redox process and oxygen vacancies migration plays an essential role in the CF forming and rupture process. However, the conduction mechanism of resistive switching memory varies considerably depending on the material used in the dielectric layer and selection of electrodes. Among the popular observations are the Poole-Frenkel emission, Schottky emission, space-charge-limited conduction (SCLC, trap-assisted tunneling (TAT and hopping conduction. In this article, we will conduct a survey on several published valence change resistive switching memories with a particular interest in the I-V characteristic and the corresponding conduction mechanism.

  3. RKKY interaction in mixed valence system and heavy fermion superconductivity

    International Nuclear Information System (INIS)

    Fusui Liu; Gao Lin; Lin Zonghan

    1985-11-01

    The 1-D RKKY interaction of mixed valence system is given by using the thermodynamic perturbation theory. The numerical comparisons of 1-D and 3-D RKKY interaction between systems with localized magnetic moments of mixed valence and non-mixed valence show that the former is much stronger than the latter. From some analyses we propose that the heavy Fermion superconductivity comes from the RKKY interaction between two local f electrons which hop off the impurity site to become two continuum electrons. The source of the two impurity electrons hopping is the Coulomb interaction. It is also emphasized that the RKKY interaction does not disappear for the Kondo lattice, when the temperature is less than the Kondo temperature. (author)

  4. Direct double photoionization of the valence shell of Be

    International Nuclear Information System (INIS)

    Citrini, F.; Malegat, L.; Selles, P.; Kazansky, A.K.

    2003-01-01

    The hyperspherical R-matrix method with semiclassical outgoing waves is used to study the direct double photoionization (DPI) of the valence shell of the lightest alkaline earth-metal Be. The absolute fully integrated, singly, doubly, and triply differential cross sections obtained are compared with the single set of measurements available and with recent calculations based on the convergent close coupling and time-dependent close coupling methods. The level of agreement between all these data is very encouraging. A comparison is also made between the DPI of He and the direct DPI of the valence shell of Be. It confirms that the electron-electron correlations are stronger in the valence 2s shell of Be than in the 1s shell of He, thus contributing to a desirable clarification

  5. Field-induced valence transition in rare-earth system

    International Nuclear Information System (INIS)

    Chattopadhaya, A.; Ghatak, S.K.

    2000-01-01

    The magnetic field-induced valence transition in rare-earth compound has been examined based on a pseudospin S=1 Ising model proposed earlier for valence transition. The model includes finite mixing between two pertinent ionic configurations (magnetic and non-magnetic) separated by an energy gap and with intersite interaction between rare-earth ions. Using the mean field approximation the magnetic behaviour and the critical field (H c ) for transition are obtained as a function of energy gap and temperature. The phase boundary defined in terms of reduced field H c /H co and reduced temperature T/T v (T v being valence transition temperature in absence of field) is nearly independent of energy gap. These results are in qualitative agreement with experimental observation in Yb- and Eu-compounds

  6. A facilitative effect of negative affective valence on working memory.

    Science.gov (United States)

    Gotoh, Fumiko; Kikuchi, Tadashi; Olofsson, Ulrich

    2010-06-01

    Previous studies have shown that negatively valenced information impaired working memory performance due to an attention-capturing effect. The present study examined whether negative valence could also facilitate working memory. Affective words (negative, neutral, positive) were used as retro-cues in a working memory task that required participants to remember colors at different spatial locations on a computer screen. Following the cue, a target detection task was used to either shift attention to a different location or keep attention at the same location as the retro-cue. Finally, participants were required to discriminate the cued color from a set of distractors. It was found that negative cues yielded shorter response times (RTs) in the attention-shift condition and longer RTs in the attention-stay condition, compared with neutral and positive cues. The results suggest that negative affective valence may enhance working memory performance (RTs), provided that attention can be disengaged.

  7. A theoretical investigation of valence and Rydberg electronic states of acrolein

    International Nuclear Information System (INIS)

    Aquilante, Francesco; Barone, Vincenzo; Roos, Bjoern O.

    2003-01-01

    The main features of the ultraviolet spectrum of acrolein have been studied by a multireference perturbative treatment and by a time dependent density functional approach. The valence and Rydberg transition energies have been calculated and the assignment of the experimental bands has been clarified. The different relaxation trends of the three lowest singlet and triplet excited states have been analyzed by unconstrained geometry optimizations. This has allowed, in particular, the characterization of a twisted 3 (ππ*) state, which is crucial for the interesting photophysics and photochemistry of the acrolein molecule and, more generally, of the α,β-enones. Solvatochromic shifts in aqueous solution have been investigated using a combined discrete/continuum approach based on the so called polarizable continuum model. The experimental trends are well reproduced by this approach and a closer degeneracy in the triplet manifold has been detected in solution with respect to gas phase

  8. Band structure of Si/Ge core-shell nanowires along the [110] direction modulated by external uniaxial strain

    International Nuclear Information System (INIS)

    Peng Xihong; Tang Fu; Logan, Paul

    2011-01-01

    Strain modulated electronic properties of Si/Ge core-shell nanowires along the [110] direction were reported, on the basis of first principles density-functional theory calculations. In particular, the energy dispersion relationship of the conduction/valence band was explored in detail. At the Γ point, the energy levels of both bands are significantly altered by applied uniaxial strain, which results in an evident change of the band gap. In contrast, for the K vectors far away from Γ, the variation of the conduction/valence band with strain is much reduced. In addition, with a sufficient tensile strain (∼1%), the valence band edge shifts away from Γ, which indicates that the band gap of the Si/Ge core-shell nanowires experiences a transition from direct to indirect. Our studies further showed that effective masses of charge carriers can also be tuned using the external uniaxial strain. The effective mass of the hole increases dramatically with tensile strain, while strain shows a minimal effect on tuning the effective mass of the electron. Finally, the relation between strain and the conduction/valence band edge is discussed thoroughly in terms of site-projected wavefunction characters.

  9. Electronic band structure of magnetic bilayer graphene superlattices

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  10. Valence QCD: Connecting QCD to the quark model

    International Nuclear Information System (INIS)

    Liu, K.F.; Dong, S.J.; Draper, T.; Sloan, J.; Leinweber, D.; Woloshyn, R.M.

    1999-01-01

    A valence QCD theory is developed to study the valence quark properties of hadrons. To keep only the valence degrees of freedom, the pair creation through the Z graphs is deleted in the connected insertions, whereas the sea quarks are eliminated in the disconnected insertions. This is achieved with a new 'valence QCD' Lagrangian where the action in the time direction is modified so that the particle and antiparticle decouple. It is shown in this valence version of QCD that the ratios of isovector to isoscalar matrix elements (e.g., F A /D A and F S /D S ratios) in the nucleon reproduce the SU(6) quark model predictions in a lattice QCD calculation. We also consider how the hadron masses are affected on the lattice and discover new insights into the origin of dynamical mass generation. It is found that, within statistical errors, the nucleon and the Δ become degenerate for the quark masses we have studied (ranging from 1 to 4 times the strange mass). The π and ρ become nearly degenerate in this range. It is shown that valence QCD has the C, P, T symmetries. The lattice version is reflection positive. It also has the vector and axial symmetries. The latter leads to a modified partially conserved axial Ward identity. As a result, the theory has a U(2N F ) symmetry in the particle-antiparticle space. Through lattice simulation, it appears that this is dynamically broken down to U q (N F )xU bar q (N F ). Furthermore, the lattice simulation reveals spin degeneracy in the hadron masses and various matrix elements. This leads to an approximate U q (2N F )xU bar q (2N F ) symmetry which is the basis for the valence quark model. In addition, we find that the masses of N, Δ,ρ,π,a 1 , and a 0 all drop precipitously compared to their counterparts in the quenched QCD calculation. This is interpreted as due to the disappearance of the 'constituent' quark mass which is dynamically generated through tadpole diagrams. The origin of the hyperfine splitting in the baryon is

  11. Spin Dynamics and Magnetic Ordering in Mixed Valence Systems

    DEFF Research Database (Denmark)

    Shapiro, S. M.; Bjerrum Møller, Hans; Axe, J. D.

    1978-01-01

    . 0 meV at the transition to the alpha phase. The temperature independence of the susceptibility within the gamma phase cannot be simply reconciled with the temperature dependence of the valence within the gamma phase. TmSe is shown to order in a type I antiferromagnetic structure below T//N similar 3....... 2 K. The magnetic phase diagram is understood as a successive domain reorientation and a metamagnetic phase transition for T less than 3 K with increasing field. The mixed valence nature manifests itself in a reduced moment and a markedly altered crystal field. Another sample of TmSe with a lattice...

  12. Electron currents associated with an auroral band

    International Nuclear Information System (INIS)

    Spiger, R.J.; Anderson, H.R.

    1975-01-01

    Measurements of electron pitch angle distributions and energy spectra over a broad auroral band were used to calculate net electric current carried by auroral electrons in the vicinity of the band. The particle energy spectrometers were carried by a Nike-Tomahawk rocket launched from Poker Flat, Alaska, at 0722 UT on February 25, 1972. Data are presented which indicate the existence of upward field-aligned currents of electrons in the energy range 0.5-20 keV. The spatial relationship of these currents to visual structure of the auroral arc and the characteristics of the electrons carrying the currents are discussed

  13. Electron currents associated with an auroral band

    Science.gov (United States)

    Spiger, R. J.; Anderson, H. R.

    1975-01-01

    Measurements of electron pitch angle distributions and energy spectra over a broad auroral band were used to calculate net electric current carried by auroral electrons in the vicinity of the band. The particle energy spectrometers were carried by a Nike-Tomahawk rocket launched from Poker Flat, Alaska, at 0722 UT on February 25, 1972. Data are presented which indicate the existence of upward field-aligned currents of electrons in the energy range 0.5-20 keV. The spatial relationship of these currents to visual structure of the auroral arc and the characteristics of the electrons carrying the currents are discussed.

  14. 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.

  15. Voltage tunable two-band MIR detection based on Si/SiGe quantum cascade injector structures

    International Nuclear Information System (INIS)

    Grydlik, M.; Rauter, P.; Meduna, M.; Fromherz, T.; Bauer, G.; Falub, C.; Dehlinger, G.; Sigg, H.; Gruetzmacher, D.

    2004-01-01

    We report the results of photocurrent spectroscopy in the mid-infrared (MIR) spectral region performed on p-type Si/SiGe cascade structures. The samples were grown by MBE and consist of a series of five SiGe quantum wells with ground states that can be coupled through thin Si barriers by aligning them in energy with an externally applied electric field E bi . Quantum wells and barriers are Boron doped to a level of 2.5 10 17 cm -3 . Our samples contain 10 sequences of the 5 quantum wells separated by 500 nm thick, undoped Si barriers. Vertical photocurrent spectroscopy has been performed for various electric fields applied perpendicular to the quantum wells at temperatures between 10 K and 100 K. Depending on the direction of the externally applied electric field relative to E bi , the photoresponse of our samples can be switched between two MIR detection bands with maxima at 230 meV and 400 meV. Due to the inversion asymmetry of the samples, at 0 V external voltage the samples deliver a short circuit current in the high-energy spectral band. Since the quantum cascades are formed in the valence band of the Si/SiGe structures, the quantum well transitions responsible for the observed photocurrents are allowed for radiation polarized parallel to the quantum wells. Therefore, these structures appear to be suitable for voltage tuneable MIR detection under normal incident radiation. By comparing the experimental results to model calculations, design strategies to optimize the responsivity of the Si/SiGe cascade structures are discussed. (author)

  16. Band Structure Analysis of La0.7Sr0.3MnO3 Perovskite Manganite Using a Synchrotron

    Directory of Open Access Journals (Sweden)

    Hong-Sub Lee

    2015-01-01

    Full Text Available Oxide semiconductors and their application in next-generation devices have received a great deal of attention due to their various optical, electric, and magnetic properties. For various applications, an understanding of these properties and their mechanisms is also very important. Various characteristics of these oxides originate from the band structure. In this study, we introduce a band structure analysis technique using a soft X-ray energy source to study a La0.7Sr0.3MnO3 (LSMO oxide semiconductor. The band structure is formed by a valence band, conduction band, band gap, work function, and electron affinity. These can be determined from secondary electron cut-off, valence band spectrum, O 1s core electron, and O K-edge measurements using synchrotron radiation. A detailed analysis of the band structure of the LSMO perovskite manganite oxide semiconductor thin film was established using these techniques.

  17. ''Identical'' bands in normally-deformed nuclei

    International Nuclear Information System (INIS)

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

    1990-01-01

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

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  19. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    Gervasio Gomez

    2012-01-01

      The new alignment for the DT chambers has been successfully used in physics analysis starting with the 52X Global Tag. The remaining main areas of development over the next few months will be preparing a new track-based CSC alignment and producing realistic APEs (alignment position errors) and MC misalignment scenarios to match the latest muon alignment constants. Work on these items has been delayed from the intended timeline, mostly due to a large involvement of the muon alignment man-power in physics analyses over the first half of this year. As CMS keeps probing higher and higher energies, special attention must be paid to the reconstruction of very-high-energy muons. Recent muon POG reports from mid-June show a φ-dependence in curvature bias in Monte Carlo samples. This bias is observed already at the tracker level, where it is constant with muon pT, while it grows with pT as muon chamber information is added to the tracks. Similar studies show a much smaller effect in data, at le...

  20. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    G. Gomez

    2010-01-01

    For the last three months, the Muon Alignment group has focussed on providing a new, improved set of alignment constants for the end-of-year data reprocessing. These constants were delivered on time and approved by the CMS physics validation team on November 17. The new alignment incorporates several improvements over the previous one from March for nearly all sub-systems. Motivated by the loss of information from a hardware failure in May (an entire MAB was lost), the optical barrel alignment has moved from a modular, super-plane reconstruction, to a full, single loop calculation of the entire geometry for all DTs in stations 1, 2 and 3. This makes better use of the system redundancy, mitigating the effect of the information loss. Station 4 is factorised and added afterwards to make the system smaller (and therefore faster to run), and also because the MAB calibration at the MB4 zone is less precise. This new alignment procedure was tested at 0 T against photogrammetry resulting in precisions of the order...

  1. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    M. Dallavalle

    2013-01-01

    A new Muon misalignment scenario for 2011 (7 TeV) Monte Carlo re-processing was re-leased. The scenario is based on running of standard track-based reference-target algorithm (exactly as in data) using single-muon simulated sample (with the transverse-momentum spectrum matching data). It used statistics similar to what was used for alignment with 2011 data, starting from an initially misaligned Muon geometry from uncertainties of hardware measurements and using the latest Tracker misalignment geometry. Validation of the scenario (with muons from Z decay and high-pT simulated muons) shows that it describes data well. The study of systematic uncertainties (dominant by now due to huge amount of data collected by CMS and used for muon alignment) is finalised. Realistic alignment position errors are being obtained from the estimated uncertainties and are expected to improve the muon reconstruction performance. Concerning the Hardware Alignment System, the upgrade of the Barrel Alignment is in progress. By now, d...

  2. Probabilistic biological network alignment.

    Science.gov (United States)

    Todor, Andrei; Dobra, Alin; Kahveci, Tamer

    2013-01-01

    Interactions between molecules are probabilistic events. An interaction may or may not happen with some probability, depending on a variety of factors such as the size, abundance, or proximity of the interacting molecules. In this paper, we consider the problem of aligning two biological networks. Unlike existing methods, we allow one of the two networks to contain probabilistic interactions. Allowing interaction probabilities makes the alignment more biologically relevant at the expense of explosive growth in the number of alternative topologies that may arise from different subsets of interactions that take place. We develop a novel method that efficiently and precisely characterizes this massive search space. We represent the topological similarity between pairs of aligned molecules (i.e., proteins) with the help of random variables and compute their expected values. We validate our method showing that, without sacrificing the running time performance, it can produce novel alignments. Our results also demonstrate that our method identifies biologically meaningful mappings under a comprehensive set of criteria used in the literature as well as the statistical coherence measure that we developed to analyze the statistical significance of the similarity of the functions of the aligned protein pairs.

  3. The complex band structure for armchair graphene nanoribbons

    International Nuclear Information System (INIS)

    Zhang Liu-Jun; Xia Tong-Sheng

    2010-01-01

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

  4. Study of band terminating in the A ≅ 100 by EUROGAM

    International Nuclear Information System (INIS)

    Gizon, J.; Gizon, A.; Genevey, J.; Santos, D.; Nyako, B.M.; Timar, J.; Zolnai, L.; Boston, A.J.; Zoss, D.T.; Paul, E.S.; Semple, A.T.; O'Brien, N.J.; Parry, C.M.; Cata-Danil, Gh.; Bucurescu, D.; Afanasjev, A.V.; Ragnarsson, I.

    1997-01-01

    Terminating bands in nuclei in the A≅ 100 region have been investigated using the EUROGAM2 array. Results have been obtained for Pd (Z 46) and Rh (Z = 45) isotopes. In the nucleus 102 Pd, eight terminating configurations are identified. It is the first nucleus where terminating bands built on the valence space configurations and on core excited configurations are observed. Terminating bands have been also found in 103 Pd and 102 Rh. For 102 Rh it is the first case of band terminations identified in a doubly-odd nucleus below the Z = 50 shell closure. (authors)

  5. Aligning Responsible Business Practices

    DEFF Research Database (Denmark)

    Weller, Angeli E.

    2017-01-01

    This article offers an in-depth case study of a global high tech manufacturer that aligned its ethics and compliance, corporate social responsibility, and sustainability practices. Few large companies organize their responsible business practices this way, despite conceptual relevance and calls t...... and managers interested in understanding how responsible business practices may be collectively organized.......This article offers an in-depth case study of a global high tech manufacturer that aligned its ethics and compliance, corporate social responsibility, and sustainability practices. Few large companies organize their responsible business practices this way, despite conceptual relevance and calls...... to manage them comprehensively. A communities of practice theoretical lens suggests that intentional effort would be needed to bridge meaning between the relevant managers and practices in order to achieve alignment. The findings call attention to the important role played by employees who broker...

  6. FMIT alignment cart

    International Nuclear Information System (INIS)

    Potter, R.C.; Dauelsberg, L.B.; Clark, D.C.; Grieggs, R.J.

    1981-01-01

    The Fusion Materials Irradiation Test (FMIT) Facility alignment cart must perform several functions. It must serve as a fixture to receive the drift-tube girder assembly when it is removed from the linac tank. It must transport the girder assembly from the linac vault to the area where alignment or disassembly is to take place. It must serve as a disassembly fixture to hold the girder while individual drift tubes are removed for repair. It must align the drift tube bores in a straight line parallel to the girder, using an optical system. These functions must be performed without violating any clearances found within the building. The bore tubes of the drift tubes will be irradiated, and shielding will be included in the system for easier maintenance

  7. Alignment of whole genomes.

    Science.gov (United States)

    Delcher, A L; Kasif, S; Fleischmann, R D; Peterson, J; White, O; Salzberg, S L

    1999-01-01

    A new system for aligning whole genome sequences is described. Using an efficient data structure called a suffix tree, the system is able to rapidly align sequences containing millions of nucleotides. Its use is demonstrated on two strains of Mycoplasma tuberculosis, on two less similar species of Mycoplasma bacteria and on two syntenic sequences from human chromosome 12 and mouse chromosome 6. In each case it found an alignment of the input sequences, using between 30 s and 2 min of computation time. From the system output, information on single nucleotide changes, translocations and homologous genes can easily be extracted. Use of the algorithm should facilitate analysis of syntenic chromosomal regions, strain-to-strain comparisons, evolutionary comparisons and genomic duplications. PMID:10325427

  8. Mn valence state and electrode performance of perovskite-type ...

    Indian Academy of Sciences (India)

    increase in the oxidation state of Mn ions was due to the formation of Mn4+ ions and oxygen vacancies. The addition of Cu ions to LSM systems could lead to enhanced electrode performance for oxygen reduction reactions originating from the change in valence of Mn ions. Keywords. Cu-doped LSM; electrical conductivity; ...

  9. Emotional Valence and Arousal Effects on Memory and Hemispheric Asymmetries

    Science.gov (United States)

    Mneimne, Malek; Powers, Alice S.; Walton, Kate E.; Kosson, David S.; Fonda, Samantha; Simonetti, Jessica

    2010-01-01

    This study examined predictions based upon the right hemisphere (RH) model, the valence-arousal model, and a recently proposed integrated model (Killgore & Yurgelun-Todd, 2007) of emotion processing by testing immediate recall and recognition memory for positive, negative, and neutral verbal stimuli among 35 right-handed women. Building upon…

  10. Nuclear masses and the number of valence nucleons

    International Nuclear Information System (INIS)

    Mendoza-Temis, J.; Frank, A.; Hirsch, J.G.; Lopez Vieyra, J.C.; Morales, I.; Barea, J.; Van Isacker, P.; Velazquez, V.

    2008-01-01

    An improved version of the liquid drop model is presented. The addition of two terms, linear and quadratic in the total number of valence nucleons (particles or holes), improves the description of atomic masses, which can be fitted with an r.m.s. error of 1.2 MeV. Predictions are analysed an compared with those of established models

  11. Vection Modulates Emotional Valence of Autobiographical Episodic Memories

    Science.gov (United States)

    Seno, Takeharu; Kawabe, Takahiro; Ito, Hiroyuki; Sunaga, Shoji

    2013-01-01

    We examined whether illusory self-motion perception ("vection") induced by viewing upward and downward grating motion stimuli can alter the emotional valence of recollected autobiographical episodic memories. We found that participants recollected positive episodes more often while perceiving upward vection. However, when we tested a small moving…

  12. Valence mixing in YbCuAl: a case study

    International Nuclear Information System (INIS)

    Mattens, W.

    1980-01-01

    Results are presented of a study of the valence state of Yb in the intermetallic compound YbCuAl. Both macroscopic physical properties (magnetic susceptibility, heat capacity, thermal expansion, electric resistivity) and microscopic physical properties (neutron inelastic scattering, nuclear magnetic resonance) are determined. The results are compared with a local Fermi liquid theory. (G.T.H.)

  13. Effective valence as the control parameter of the superconducting ...

    African Journals Online (AJOL)

    One approach to investigating the superconductivity in the ironbased materials is understanding the chemical and structural parameters that can be used to tune their remarkably high Tc. In this paper, we have demonstrated that the effective valence of iron can be used as the control parameter to tune the Tc of this family of ...

  14. Voice and Valency in San Luis Potosi Huasteco

    Science.gov (United States)

    Munoz Ledo Yanez, Veronica

    2014-01-01

    This thesis presents an analysis of the system of transitivity, voice and valency alternations in Huasteco of San Luis Potosi (Mayan) within a functional-typological framework. The study is based on spoken discourse and elicited data collected in the municipalities of Aquismon and Tancanhuitz de Santos in the state of San Luis Potosi, Mexico. The…

  15. verbal extensions: valency decreasing extensions in the basà ...

    African Journals Online (AJOL)

    Finance

    London: Hodder. Education. Imoh, P.M., 2013. Verbal extensions: Valency increasing operations in Basà verbal system. Paper presented at the West African Languages Congress (WALC) and 26th Annual. Conference of the Linguistic Association of Nigeria (26th CLAN), 29th July to 2nd August. 2013, University of Ibadan, ...

  16. Band-to-band transitions, selection rules, effective mass, and excitonic contributions in monoclinic β -Ga2O3

    Science.gov (United States)

    Mock, Alyssa; Korlacki, Rafał; Briley, Chad; Darakchieva, Vanya; Monemar, Bo; Kumagai, Yoshinao; Goto, Ken; Higashiwaki, Masataka; Schubert, Mathias

    2017-12-01

    We employ an eigenpolarization model including the description of direction dependent excitonic effects for rendering critical point structures within the dielectric function tensor of monoclinic β -Ga2O3 yielding a comprehensive analysis of generalized ellipsometry data obtained from 0.75-9 eV. The eigenpolarization model permits complete description of the dielectric response. We obtain, for single-electron and excitonic band-to-band transitions, anisotropic critical point model parameters including their polarization vectors within the monoclinic lattice. We compare our experimental analysis with results from density functional theory calculations performed using the Gaussian-attenuation-Perdew-Burke-Ernzerhof hybrid density functional. We present and discuss the order of the fundamental direct band-to-band transitions and their polarization selection rules, the electron and hole effective mass parameters for the three lowest band-to-band transitions, and their excitonic contributions. We find that the effective masses for holes are highly anisotropic and correlate with the selection rules for the fundamental band-to-band transitions. The observed transitions are polarized close to the direction of the lowest hole effective mass for the valence band participating in the transition.

  17. Crystal structure and band gap determination of HfO2 thin films

    NARCIS (Netherlands)

    Cheynet, M.C.; Pokrant, S.; Tichelaar, F.D.; Rouvière, J.L.

    2007-01-01

    Valence electron energy loss spectroscopy (VEELS) and high resolution transmission electron microscopy (HRTEM) are performed on three different HfO2 thin films grown on Si (001) by chemical vapor deposition (CVD) or atomic layer deposition (ALD). For each sample the band gap (Eg) is determined by

  18. Simulation of beamline alignment operations

    International Nuclear Information System (INIS)

    Annese, C; Miller, M G.

    1999-01-01

    The CORBA-based Simulator was a Laboratory Directed Research and Development (LDRD) project that applied simulation techniques to explore critical questions about distributed control systems. The simulator project used a three-prong approach that studied object-oriented distribution tools, computer network modeling, and simulation of key control system scenarios. The National Ignition Facility's (NIF) optical alignment system was modeled to study control system operations. The alignment of NIF's 192 beamlines is a large complex operation involving more than 100 computer systems and 8000 mechanized devices. The alignment process is defined by a detailed set of procedures; however, many of the steps are deterministic. The alignment steps for a poorly aligned component are similar to that of a nearly aligned component; however, additional operations/iterations are required to complete the process. Thus, the same alignment operations will require variable amounts of time to perform depending on the current alignment condition as well as other factors. Simulation of the alignment process is necessary to understand beamline alignment time requirements and how shared resources such as the Output Sensor and Target Alignment Sensor effect alignment efficiency. The simulation has provided alignment time estimates and other results based on documented alignment procedures and alignment experience gained in the laboratory. Computer communication time, mechanical hardware actuation times, image processing algorithm execution times, etc. have been experimentally determined and incorporated into the model. Previous analysis of alignment operations utilized average implementation times for all alignment operations. Resource sharing becomes rather simple to model when only average values are used. The time required to actually implement the many individual alignment operations will be quite dynamic. The simulation model estimates the time to complete an operation using

  19. Experimental image alignment system

    Science.gov (United States)

    Moyer, A. L.; Kowel, S. T.; Kornreich, P. G.

    1980-01-01

    A microcomputer-based instrument for image alignment with respect to a reference image is described which uses the DEFT sensor (Direct Electronic Fourier Transform) for image sensing and preprocessing. The instrument alignment algorithm which uses the two-dimensional Fourier transform as input is also described. It generates signals used to steer the stage carrying the test image into the correct orientation. This algorithm has computational advantages over algorithms which use image intensity data as input and is suitable for a microcomputer-based instrument since the two-dimensional Fourier transform is provided by the DEFT sensor.

  20. A Definition of the Magnetic Transition Temperature Using Valence Bond Theory.

    Science.gov (United States)

    Jornet-Somoza, Joaquim; Deumal, Mercè; Borge, Juan; Robb, Michael A

    2018-03-01

    Macroscopic magnetic properties are analyzed using Valence Bond theory. Commonly the critical temperature T C for magnetic systems is associated with a maximum in the energy-based heat capacity C p (T). Here a more broadly applicable definition of the magnetic transition temperature T C is described using the spin moment expectation value (i.e., applying the spin exchange density operator) instead of energy. Namely, the magnetic capacity C s (T) reflects variation in the spin multiplicity as a function of temperature, which is shown to be related to ∂[χT(T)]/∂T. Magnetic capacity C s (T) depends on long-range spin interactions that are not relevant in the energy-based heat capacity C p (T). Differences between C s (T) and C p (T) are shown to be due to spin order/disorder within the crystal that can be monitored via a Valence Bond analysis of the corresponding magnetic wave function. Indeed the concept of the Boltzmann spin-alignment order is used to provide information about the spin correlation between magnetic units. As a final illustration, the critical temperature is derived from the magnetic capacity for several molecular magnets presenting different magnetic topologies that have been experimentally studied. A systematic shift between the transition temperatures associated with C s (T) and C p (T) is observed. It is demonstrated that this shift can be attributed to the loss of long-range spin correlation. This suggests that the magnetic capacity C s (T) can be used as a predictive tool for the magnetic topology and thus for the synthetic chemists.

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

    Directory of Open Access Journals (Sweden)

    E. Kalesaki

    2014-01-01

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

  2. Bond-Valence Constraints on Liquid Water Structure

    International Nuclear Information System (INIS)

    Bickmore, Barry R.; Rosso, Kevin M.; Brown, I. David; Kerisit, Sebastien N.

    2009-01-01

    The recent controversy about the structure of liquid water pits a new model involving water molecules in relatively stable rings-and-chains structures against the standard model that posits water molecules in distorted tetrahedral coordination. Molecular dynamics (MD) simulations 'both classical and ab initio' almost uniformly support the standard model, but since none of them can yet reproduce all the anomalous properties of water, they leave room for doubt. We argue that it is possible to evaluate these simulations by testing them against their adherence to the bond-valence model, a well known, and quantitatively accurate, empirical summary of the behavior of atoms in the bonded networks of inorganic solids. Here we use the results of ab initio molecular dynamics simulations of ice, water, and several solvated aqueous species to show that the valence sum rule (the first axiom of the bond-valence model,) is followed in both solid and liquid bond networks. We then test MD simulations of water, employing several popular potential models, against this criterion and the experimental O-O radial distribution function. It appears that most of those tested cannot satisfy both criteria well, except TIP4P and TIP5P. If the valence sum rule really can be applied to simulated liquid structures, then it follows that the bonding behaviors of atoms in liquids are in some ways identical to those in solids. We support this interpretation by showing that the simulations produce O-H-O geometries completely consistent with the range of geometries available in solids, and the distributions of instantaneous valence sums reaching the atoms in both the ice and liquid water simulations are essentially identical. Taken together, this is powerful evidence in favor of the standard distorted tetrahedral model of liquid water structure

  3. Modeling direct band-to-band tunneling: From bulk to quantum-confined semiconductor devices

    Science.gov (United States)

    Carrillo-Nuñez, H.; Ziegler, A.; Luisier, M.; Schenk, A.

    2015-06-01

    A rigorous framework to study direct band-to-band tunneling (BTBT) in homo- and hetero-junction semiconductor nanodevices is introduced. An interaction Hamiltonian coupling conduction and valence bands (CVBs) is derived using a multiband envelope method. A general form of the BTBT probability is then obtained from the linear response to the "CVBs interaction" that drives the system out of equilibrium. Simple expressions in terms of the one-electron spectral function are developed to compute the BTBT current in two- and three-dimensional semiconductor structures. Additionally, a two-band envelope equation based on the Flietner model of imaginary dispersion is proposed for the same purpose. In order to characterize their accuracy and differences, both approaches are compared with full-band, atomistic quantum transport simulations of Ge, InAs, and InAs-Si Esaki diodes. As another numerical application, the BTBT current in InAs-Si nanowire tunnel field-effect transistors is computed. It is found that both approaches agree with high accuracy. The first one is considerably easier to conceive and could be implemented straightforwardly in existing quantum transport tools based on the effective mass approximation to account for BTBT in nanodevices.

  4. Modeling direct band-to-band tunneling: From bulk to quantum-confined semiconductor devices

    International Nuclear Information System (INIS)

    Carrillo-Nuñez, H.; Ziegler, A.; Luisier, M.; Schenk, A.

    2015-01-01

    A rigorous framework to study direct band-to-band tunneling (BTBT) in homo- and hetero-junction semiconductor nanodevices is introduced. An interaction Hamiltonian coupling conduction and valence bands (CVBs) is derived using a multiband envelope method. A general form of the BTBT probability is then obtained from the linear response to the “CVBs interaction” that drives the system out of equilibrium. Simple expressions in terms of the one-electron spectral function are developed to compute the BTBT current in two- and three-dimensional semiconductor structures. Additionally, a two-band envelope equation based on the Flietner model of imaginary dispersion is proposed for the same purpose. In order to characterize their accuracy and differences, both approaches are compared with full-band, atomistic quantum transport simulations of Ge, InAs, and InAs-Si Esaki diodes. As another numerical application, the BTBT current in InAs-Si nanowire tunnel field-effect transistors is computed. It is found that both approaches agree with high accuracy. The first one is considerably easier to conceive and could be implemented straightforwardly in existing quantum transport tools based on the effective mass approximation to account for BTBT in nanodevices

  5. Modeling direct band-to-band tunneling: From bulk to quantum-confined semiconductor devices

    Energy Technology Data Exchange (ETDEWEB)

    Carrillo-Nuñez, H.; Ziegler, A.; Luisier, M.; Schenk, A. [Integrated Systems Laboratory ETH Zürich, Gloriastrasse 35, 8092 Zürich (Switzerland)

    2015-06-21

    A rigorous framework to study direct band-to-band tunneling (BTBT) in homo- and hetero-junction semiconductor nanodevices is introduced. An interaction Hamiltonian coupling conduction and valence bands (CVBs) is derived using a multiband envelope method. A general form of the BTBT probability is then obtained from the linear response to the “CVBs interaction” that drives the system out of equilibrium. Simple expressions in terms of the one-electron spectral function are developed to compute the BTBT current in two- and three-dimensional semiconductor structures. Additionally, a two-band envelope equation based on the Flietner model of imaginary dispersion is proposed for the same purpose. In order to characterize their accuracy and differences, both approaches are compared with full-band, atomistic quantum transport simulations of Ge, InAs, and InAs-Si Esaki diodes. As another numerical application, the BTBT current in InAs-Si nanowire tunnel field-effect transistors is computed. It is found that both approaches agree with high accuracy. The first one is considerably easier to conceive and could be implemented straightforwardly in existing quantum transport tools based on the effective mass approximation to account for BTBT in nanodevices.

  6. AlignMe—a membrane protein sequence alignment web server

    Science.gov (United States)

    Stamm, Marcus; Staritzbichler, René; Khafizov, Kamil; Forrest, Lucy R.

    2014-01-01

    We present a web server for pair-wise alignment of membrane protein sequences, using the program AlignMe. The server makes available two operational modes of AlignMe: (i) sequence to sequence alignment, taking two sequences in fasta format as input, combining information about each sequence from multiple sources and producing a pair-wise alignment (PW mode); and (ii) alignment of two multiple sequence alignments to create family-averaged hydropathy profile alignments (HP mode). For the PW sequence alignment mode, four different optimized parameter sets are provided, each suited to pairs of sequences with a specific similarity level. These settings utilize different types of inputs: (position-specific) substitution matrices, secondary structure predictions and transmembrane propensities from transmembrane predictions or hydrophobicity scales. In the second (HP) mode, each input multiple sequence alignment is converted into a hydrophobicity profile averaged over the provided set of sequence homologs; the two profiles are then aligned. The HP mode enables qualitative comparison of transmembrane topologies (and therefore potentially of 3D folds) of two membrane proteins, which can be useful if the proteins have low sequence similarity. In summary, the AlignMe web server provides user-friendly access to a set of tools for analysis and comparison of membrane protein sequences. Access is available at http://www.bioinfo.mpg.de/AlignMe PMID:24753425

  7. Band structure of semiconductors

    CERN Document Server

    Tsidilkovski, I M

    2013-01-01

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

  8. Aligning Mental Representations

    DEFF Research Database (Denmark)

    Kano Glückstad, Fumiko

    2013-01-01

    This work introduces a framework that implements asymmetric communication theory proposed by Sperber and Wilson [1]. The framework applies a generalization model known as the Bayesian model of generalization (BMG) [2] for aligning knowledge possessed by two communicating parties. The work focuses...

  9. MUON DETECTORS: ALIGNMENT

    CERN Multimedia

    G. Gomez and Y. Pakhotin

    2012-01-01

      A new track-based alignment for the DT chambers is ready for deployment: an offline tag has already been produced which will become part of the 52X Global Tag. This alignment was validated within the muon alignment group both at low and high momentum using a W/Z skim sample. It shows an improved mass resolution for pairs of stand-alone muons, improved curvature resolution at high momentum, and improved DT segment extrapolation residuals. The validation workflow for high-momentum muons used to depend solely on the “split cosmics” method, looking at the curvature difference between muon tracks reconstructed in the upper or lower half of CMS. The validation has now been extended to include energetic muons decaying from heavily boosted Zs: the di-muon invariant mass for global and stand-alone muons is reconstructed, and the invariant mass resolution is compared for different alignments. The main areas of development over the next few months will be preparing a new track-based C...

  10. Community Alignment ANADP

    OpenAIRE

    Halbert, Martin; Bicarregui, Juan; Anglada, Lluis; Duranti, Luciana

    2014-01-01

    Aligning National Approaches to Digital Preservation: An Action Assembly Biblioteca de Catalunya (National Library of Catalonia) November 18-20, 2013, Barcelona, Spain Auburn University Council on Library and Information Resources (CLIR) Digital Curation Centre (DCC) Digital Preservation Network (DPN) Joint Information Systems Committee (JISC) University of North Texas Virginia Tech Interuniversity Consortium for Political and Social Research (ICPSR) Innovative Inte...

  11. Discriminative Shape Alignment

    DEFF Research Database (Denmark)

    Loog, M.; de Bruijne, M.

    2009-01-01

    , not taking into account that eventually the shapes are to be assigned to two or more different classes. This work introduces a discriminative variation to well-known Procrustes alignment and demonstrates its benefit over this classical method in shape classification tasks. The focus is on two...

  12. Resource Alignment ANADP

    OpenAIRE

    Grindley, Neil; Cramer, Tom; Schrimpf, Sabine; Wilson, Tom

    2014-01-01

    Aligning National Approaches to Digital Preservation: An Action Assembly Biblioteca de Catalunya (National Library of Catalonia) November 18-20, 2013, Barcelona, Spain Auburn University Council on Library and Information Resources (CLIR) Digital Curation Centre (DCC) Digital Preservation Network (DPN) Joint Information Systems Committee (JISC) University of North Texas Virginia Tech Interuniversity Consortium for Political and Social Research (ICPSR) Innovative Inte...

  13. Capacity Alignment ANADP

    OpenAIRE

    Davidson, Joy; Whitehead, Martha; Molloy, Laura; Molinaro, Mary

    2014-01-01

    Aligning National Approaches to Digital Preservation: An Action Assembly Biblioteca de Catalunya (National Library of Catalonia) November 18-20, 2013, Barcelona, Spain Auburn University Council on Library and Information Resources (CLIR) Digital Curation Centre (DCC) Digital Preservation Network (DPN) Joint Information Systems Committee (JISC) University of North Texas Virginia Tech Interuniversity Consortium for Political and Social Research (ICPSR) Innovative Inte...

  14. First-principles calculation of electronic energy level alignment at electrochemical interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Azar, Yavar T.; Payami, Mahmoud, E-mail: mpayami@aeoi.org.ir

    2017-08-01

    Highlights: • Using DFT calculation, level shifts of TiO{sub 2} and ZnO at the interfaces with MeCN and DMF are determined. • Level shifts are obtained using potential difference between the surfaces of asymmetric slabs. • Solvent molecules give an up-shift to the levels that varies with coverage. • MD simulations show that at room temperatures the surface is not fully covered by the solvent molecules. - Abstract: Energy level alignment at solid–solvent interfaces is an important step in determining the properties of electrochemical systems. The positions of conduction and valence band edges of a semiconductor are affected by its environment. In this study, using first-principles DFT calculation, we have determined the level shifts of the semiconductors TiO{sub 2} and ZnO at the interfaces with MeCN and DMF solvent molecules. The level shifts of semiconductor are obtained using the potential difference between the clean and exposed surfaces of asymmetric slabs. In this work, neglecting the effects of present ions in the electrolyte solution, we have shown that the solvent molecules give rise to an up-shift for the levels, and the amount of this shift varies with coverage. It is also shown that the shapes of density of states do not change sensibly near the gap. Molecular dynamics simulations of the interface have shown that at room temperatures the semiconductor surface is not fully covered by the solvent molecules, and one must use intermediate values in an static calculations.

  15. ABS: Sequence alignment by scanning

    KAUST Repository

    Bonny, Mohamed Talal

    2011-08-01

    Sequence alignment is an essential tool in almost any computational biology research. It processes large database sequences and considered to be high consumers of computation time. Heuristic algorithms are used to get approximate but fast results. We introduce fast alignment algorithm, called Alignment By Scanning (ABS), to provide an approximate alignment of two DNA sequences. We compare our algorithm with the well-known alignment algorithms, the FASTA (which is heuristic) and the \\'Needleman-Wunsch\\' (which is optimal). The proposed algorithm achieves up to 76% enhancement in alignment score when it is compared with the FASTA Algorithm. The evaluations are conducted using different lengths of DNA sequences. © 2011 IEEE.

  16. ABS: Sequence alignment by scanning

    KAUST Repository

    Bonny, Mohamed Talal; Salama, Khaled N.

    2011-01-01

    Sequence alignment is an essential tool in almost any computational biology research. It processes large database sequences and considered to be high consumers of computation time. Heuristic algorithms are used to get approximate but fast results. We introduce fast alignment algorithm, called Alignment By Scanning (ABS), to provide an approximate alignment of two DNA sequences. We compare our algorithm with the well-known alignment algorithms, the FASTA (which is heuristic) and the 'Needleman-Wunsch' (which is optimal). The proposed algorithm achieves up to 76% enhancement in alignment score when it is compared with the FASTA Algorithm. The evaluations are conducted using different lengths of DNA sequences. © 2011 IEEE.

  17. Fast global sequence alignment technique

    KAUST Repository

    Bonny, Mohamed Talal

    2011-11-01

    Bioinformatics database is growing exponentially in size. Processing these large amount of data may take hours of time even if super computers are used. One of the most important processing tool in Bioinformatics is sequence alignment. We introduce fast alignment algorithm, called \\'Alignment By Scanning\\' (ABS), to provide an approximate alignment of two DNA sequences. We compare our algorithm with the wellknown sequence alignment algorithms, the \\'GAP\\' (which is heuristic) and the \\'Needleman-Wunsch\\' (which is optimal). The proposed algorithm achieves up to 51% enhancement in alignment score when it is compared with the GAP Algorithm. The evaluations are conducted using different lengths of DNA sequences. © 2011 IEEE.

  18. Approach and withdrawal tendencies during written word processing: effects of task, emotional valence and emotional arousal

    OpenAIRE

    Citron, Francesca Maria Marina; Abugaber, David; Herbert, Cornelia

    2016-01-01

    The affective dimensions of emotional valence and emotional arousal affect processing of verbal and pictorial stimuli. Traditional emotional theories assume a linear relationship between these dimensions, with valence determining the direction of a behaviour (approach vs. withdrawal) and arousal its intensity or strength. In contrast, according to the valence-arousal conflict theory, both dimensions are interactively related: positive valence and low arousal (PL) are associated with an implic...

  19. Anisotropic hypersonic phonon propagation in films of aligned ellipsoids.

    Science.gov (United States)

    Beltramo, Peter J; Schneider, Dirk; Fytas, George; Furst, Eric M

    2014-11-14

    A material with anisotropic elastic mechanical properties and a direction-dependent hypersonic band gap is fabricated using ac electric field-directed convective self-assembly of colloidal ellipsoids. The frequency of the gap, which is detected in the direction perpendicular to particle alignment and entirely absent parallel to alignment, and the effective sound velocities can be tuned by the particle aspect ratio. We hypothesize that the band gap originates from the primary eigenmode peak, the m-splitted (s,1,2) mode, of the particle resonating with the effective medium. These results reveal the potential for powerful control of the hypersonic phononic band diagram by combining anisotropic particles and self-assembly.

  20. Formatt: Correcting protein multiple structural alignments by incorporating sequence alignment

    Directory of Open Access Journals (Sweden)

    Daniels Noah M

    2012-10-01

    Full Text Available Abstract Background The quality of multiple protein structure alignments are usually computed and assessed based on geometric functions of the coordinates of the backbone atoms from the protein chains. These purely geometric methods do not utilize directly protein sequence similarity, and in fact, determining the proper way to incorporate sequence similarity measures into the construction and assessment of protein multiple structure alignments has proved surprisingly difficult. Results We present Formatt, a multiple structure alignment based on the Matt purely geometric multiple structure alignment program, that also takes into account sequence similarity when constructing alignments. We show that Formatt outperforms Matt and other popular structure alignment programs on the popular HOMSTRAD benchmark. For the SABMark twilight zone benchmark set that captures more remote homology, Formatt and Matt outperform other programs; depending on choice of embedded sequence aligner, Formatt produces either better sequence and structural alignments with a smaller core size than Matt, or similarly sized alignments with better sequence similarity, for a small cost in average RMSD. Conclusions Considering sequence information as well as purely geometric information seems to improve quality of multiple structure alignments, though defining what constitutes the best alignment when sequence and structural measures would suggest different alignments remains a difficult open question.

  1. Developmental Reversals in False Memory: Effects of Emotional Valence and Arousal

    Science.gov (United States)

    Brainerd, C. J.; Holliday, R. E.; Reyna, V. F.; Yang, Y.; Toglia, M. P.

    2010-01-01

    Do the emotional valence and arousal of events distort children's memories? Do valence and arousal modulate counterintuitive age increases in false memory? We investigated those questions in children, adolescents, and adults using the Cornell/Cortland Emotion Lists, a word list pool that induces false memories and in which valence and arousal can…

  2. Valence-Specific Laterality Effects in Vocal Emotion: Interactions with Stimulus Type, Blocking and Sex

    Science.gov (United States)

    Schepman, Astrid; Rodway, Paul; Geddes, Pauline

    2012-01-01

    Valence-specific laterality effects have been frequently obtained in facial emotion perception but not in vocal emotion perception. We report a dichotic listening study further examining whether valence-specific laterality effects generalise to vocal emotions. Based on previous literature, we tested whether valence-specific laterality effects were…

  3. Work Valence as a Predictor of Academic Achievement in the Family Context

    Science.gov (United States)

    Porfeli, Erik; Ferrari, Lea; Nota, Laura

    2013-01-01

    This study asserts a theoretical model of academic and work socialization within the family setting. The presumed associations between parents' work valences, children's work valences and valence perceptions, and children's academic interest and achievement are tested. The results suggest that children's perceptions of parents mediate the…

  4. Cranking model interpretation of weakly coupled bands in Hg isotopes

    International Nuclear Information System (INIS)

    Guttormsen, M.; Huebel, H.

    1982-01-01

    The positive-parity yrast states of the transitional sup(189-198)Hg isotopes are interpreted within the Bengtsson and Frauendorf version of the cranking model. The very sharp backbendings can be explained by small interaction matrix elements between the ground and s-bands. The experimentally observed large aligned angular momenta and the low band-crossing frequencies are well reproduced in the calculations. (orig.)

  5. Theoretical calculations of valence states in Fe-Mo compounds

    International Nuclear Information System (INIS)

    Estrada, F; Navarro, O; Noverola, H; Suárez, J R; Avignon, M

    2014-01-01

    The half-metallic ferromagnetic double perovskite compound Sr 2 FeMoO 6 is considered as an important material for spintronic applications. It appears to be fundamental to understand the role of electronic parameters controlling the half-metallic ground state. Fe-Mo double perovskites usually present some degree of Fe/Mo disorder which generally increases with doping. In this work, we study the valence states of Fe-Mo cations in the off-stoichiometric system Sr 2 Fe 1+x Mo 1−x O 6 (−1 ≤ x ≤ 1/3) with disorder. Our results for Fe and Mo valence states are obtained using the Green functions and the renormalization perturbation expansion method. The model is based on a correlated electron picture with localized Fe-spins and conduction Mo-electrons interacting with the local spins via a double-exchange-type mechanism

  6. Theory of Valence Transitions in Ytterbium and Europium Intermetallics

    International Nuclear Information System (INIS)

    Zlatic, V.; Freericks, J.K.

    2001-01-01

    The exact solution of the multi-component Falicov-Kimball model in infinite-dimensions is presented and used to discuss a new fixed point of valence fluctuating intermetallics with Yb and Eu ions. In these compounds, temperature, external magnetic field, pressure, or chemical pressure induce a transition between a metallic state with the f-ions in a mixed-valent (non-magnetic) configuration and a semi-metallic state with the f-ions in an integral-valence (paramagnetic) configuration. The zero-field transition occurs at the temperature T V , while the zero-temperature transition sets in at the critical field H c . We present the thermodynamic and dynamic properties of the model for an arbitrary concentration of d- and f -electrons. For large U, we find a MI transition, triggered by the temperature or field- induced change in the f-occupancy. (author)

  7. The chemical bond in inorganic chemistry the bond valence model

    CERN Document Server

    Brown, I David

    2016-01-01

    The bond valence model is a version of the ionic model in which the chemical constraints are expressed in terms of localized chemical bonds formed by the valence charge of the atoms. Theorems derived from the properties of the electrostatic flux predict the rules obeyed by both ionic and covalent bonds. They make quantitative predictions of coordination number, crystal structure, bond lengths and bond angles. Bond stability depends on the matching of the bonding strengths of the atoms, while the conflicting requirements of chemistry and space lead to the structural instabilities responsible for the unusual physical properties displayed by some materials. The model has applications in many fields ranging from mineralogy to molecular biology.

  8. Bond charge approximation for valence electron density in elemental semiconductors

    International Nuclear Information System (INIS)

    Bashenov, V.K.; Gorbachov, V.E.; Marvakov, D.I.

    1985-07-01

    The spatial valence electron distribution in silicon and diamond is calculated in adiabatic bond charge approximation at zero temperature when bond charges have the Gaussian shape and their tensor character is taken into account. An agreement between theory and experiment has been achieved. For this purpose Xia's ionic pseudopotentials and Schulze-Unger's dielectric function are used. By two additional parameters Asub(B) and Zsub(B)sup(') we describe the spatial extent of the bond charge and local-field corrections, respectively. The parameter Zsub(B)sup(') accounts for the ratio between the Coulomb and exchange correlation interactions of the valence electrons and its silicon and diamond values have different signs. (author)

  9. Valence control of cobalt oxide thin films by annealing atmosphere

    International Nuclear Information System (INIS)

    Wang Shijing; Zhang Boping; Zhao Cuihua; Li Songjie; Zhang Meixia; Yan Liping

    2011-01-01

    The cobalt oxide (CoO and Co 3 O 4 ) thin films were successfully prepared using a spin-coating technique by a chemical solution method with CH 3 OCH 2 CH 2 OH and Co(NO 3 ) 2 .6H 2 O as starting materials. The grayish cobalt oxide films had uniform crystalline grains with less than 50 nm in diameter. The phase structure is able to tailor by controlling the annealing atmosphere and temperature, in which Co 3 O 4 thin film was obtained by annealing in air at 300-600, and N 2 at 300, and transferred to CoO thin film by raising annealing temperature in N 2 . The fitted X-ray photoelectron spectroscopy (XPS) spectra of the Co2p electrons are distinguishable from different valence states of cobalt oxide especially for their satellite structure. The valence control of cobalt oxide thin films by annealing atmosphere contributes to the tailored optical absorption property.

  10. Spin dynamics and magnetic ordering in mixed valence systems

    International Nuclear Information System (INIS)

    Shapiro, S.M.; Moller, H.B.; Axe, J.D.; Birgeneau, R.J.; Bucher, E.

    1977-01-01

    Neutron scattering measurements are reported on the mixed valence compounds Ce/sub 1-x/Th/sub x/ and TmSe. The Chi''(Q,ω) as derived from the inelastic spectra of Ce 0 . 74 Th 0 . 26 shows a peak in the γ phase near 20.0 meV and shifts abruptly to greater than 70.0 meV at the transition to the α phase. The temperature independence of the susceptibility within the γ phase cannot be simply reconciled with the temperature dependence of the valence within the γ phase. TmSe is shown to order in a type I antiferromagnetic structure below T/sub N/ approx. 3.2 K. The magnetic phase diagram is understood as a successive domain reorientation and a metamagnetic phase transition for T 3+ orders in a type II structure but never achieves long range order

  11. The olfactory tubercle encodes odor valence in behaving mice.

    Science.gov (United States)

    Gadziola, Marie A; Tylicki, Kate A; Christian, Diana L; Wesson, Daniel W

    2015-03-18

    Sensory information acquires meaning to adaptively guide behaviors. Despite odors mediating a number of vital behaviors, the components of the olfactory system responsible for assigning meaning to odors remain unclear. The olfactory tubercle (OT), a ventral striatum structure that receives monosynaptic input from the olfactory bulb, is uniquely positioned to transform odor information into behaviorally relevant neural codes. No information is available, however, on the coding of odors among OT neurons in behaving animals. In recordings from mice engaged in an odor discrimination task, we report that the firing rate of OT neurons robustly and flexibly encodes the valence of conditioned odors over identity, with rewarded odors evoking greater firing rates. This coding of rewarded odors occurs before behavioral decisions and represents subsequent behavioral responses. We predict that the OT is an essential region whereby odor valence is encoded in the mammalian brain to guide goal-directed behaviors. Copyright © 2015 the authors 0270-6474/15/354515-13$15.00/0.

  12. Clustering of low-valence particles: structure and kinetics.

    Science.gov (United States)

    Markova, Olga; Alberts, Jonathan; Munro, Edwin; Lenne, Pierre-François

    2014-08-01

    We compute the structure and kinetics of two systems of low-valence particles with three or six freely oriented bonds in two dimensions. The structure of clusters formed by trivalent particles is complex with loops and holes, while hexavalent particles self-organize into regular and compact structures. We identify the elementary structures which compose the clusters of trivalent particles. At initial stages of clustering, the clusters of trivalent particles grow with a power-law time dependence. Yet at longer times fusion and fission of clusters equilibrates and clusters form a heterogeneous phase with polydispersed sizes. These results emphasize the role of valence in the kinetics and stability of finite-size clusters.

  13. Effects of valence and divided attention on cognitive reappraisal processes

    OpenAIRE

    Morris, John A.; Leclerc, Christina M.; Kensinger, Elizabeth A.

    2014-01-01

    Numerous studies have investigated the neural substrates supporting cognitive reappraisal, identifying the importance of cognitive control processes implemented by prefrontal cortex (PFC). This study examined how valence and attention affect the processes used for cognitive reappraisal by asking participants to passively view or to cognitively reappraise positive and negative images with full or divided attention. When participants simply viewed these images, results revealed few effects of v...

  14. Magnetic excitations in intermediate valence semiconductors with singlet ground state

    International Nuclear Information System (INIS)

    Kikoin, K.A.; Mishchenko, A.S.

    1994-01-01

    The explanation of the origin inelastic peaks in magnetic neutron scattering spectra of the mixed-valent semiconductor SmB 6 is proposed. It is shown that the excitonic theory of intermediate valence state not only gives the value of the peak frequency but also explains the unusual angular dependence of intensity of inelastic magnetic scattering and describes the dispersion of magnetic excitations in good agreement with experiment

  15. Continuum-limit scaling of overlap fermions as valence quarks

    International Nuclear Information System (INIS)

    Cichy, Krzysztof; Herdoiza, Gregorio; Jansen, Karl

    2009-10-01

    We present the results of a mixed action approach, employing dynamical twisted mass fermions in the sea sector and overlap valence fermions, with the aim of testing the continuum limit scaling behaviour of physical quantities, taking the pion decay constant as an example. To render the computations practical, we impose for this purpose a fixed finite volume with lattice size L∼1.3 fm. We also briefly review the techniques we have used to deal with overlap fermions. (orig.)

  16. Few-valence-particle excitations around doubly magic 132Sn

    International Nuclear Information System (INIS)

    Daly, P.J.; Zhang, C.T.; Bhattacharyya, P.

    1996-01-01

    Prompt γ-ray cascades in neutron-rich nuclei around doubly-magic 132 Sn have been studied using a 248 Cm fission source. Yrast states located in the N = 82 isotones 134 Te and 135 I are interpreted as valence proton and neutron particle-hole core excitations with the help of shell model calculations employing empirical nucleon-nucleon interactions from both 132 Sn and 208 Pb regions

  17. Magnetic re-entrance in intermediate valence compounds

    International Nuclear Information System (INIS)

    Allub, R.; Machiavelli, O.; Balseiro, C.; Alascio, B.

    1980-01-01

    The possibility is explored of magnetic re-entrance in intermediate valence compounds. Using a simplified Anderson-Lattice model the pressure-temperature magnetic phase diagram is obtained. This diagram shows that for some value of the microscopic parameters the temperature induced two transitions (non-magnetic to magnetically ordered to paramagnetic). The magnetization and the average occupation number of the localized state are calculated. Estimations of the observability of the effect in systems like CeAl 2 are made. (author)

  18. Feedback Valence Affects Auditory Perceptual Learning Independently of Feedback Probability

    Science.gov (United States)

    Amitay, Sygal; Moore, David R.; Molloy, Katharine; Halliday, Lorna F.

    2015-01-01

    Previous studies have suggested that negative feedback is more effective in driving learning than positive feedback. We investigated the effect on learning of providing varying amounts of negative and positive feedback while listeners attempted to discriminate between three identical tones; an impossible task that nevertheless produces robust learning. Four feedback conditions were compared during training: 90% positive feedback or 10% negative feedback informed the participants that they were doing equally well, while 10% positive or 90% negative feedback informed them they were doing equally badly. In all conditions the feedback was random in relation to the listeners’ responses (because the task was to discriminate three identical tones), yet both the valence (negative vs. positive) and the probability of feedback (10% vs. 90%) affected learning. Feedback that informed listeners they were doing badly resulted in better post-training performance than feedback that informed them they were doing well, independent of valence. In addition, positive feedback during training resulted in better post-training performance than negative feedback, but only positive feedback indicating listeners were doing badly on the task resulted in learning. As we have previously speculated, feedback that better reflected the difficulty of the task was more effective in driving learning than feedback that suggested performance was better than it should have been given perceived task difficulty. But contrary to expectations, positive feedback was more effective than negative feedback in driving learning. Feedback thus had two separable effects on learning: feedback valence affected motivation on a subjectively difficult task, and learning occurred only when feedback probability reflected the subjective difficulty. To optimize learning, training programs need to take into consideration both feedback valence and probability. PMID:25946173

  19. Human Amygdala Tracks a Feature-Based Valence Signal Embedded within the Facial Expression of Surprise.

    Science.gov (United States)

    Kim, M Justin; Mattek, Alison M; Bennett, Randi H; Solomon, Kimberly M; Shin, Jin; Whalen, Paul J

    2017-09-27

    Human amygdala function has been traditionally associated with processing the affective valence (negative vs positive) of an emotionally charged event, especially those that signal fear or threat. However, this account of human amygdala function can be explained by alternative views, which posit that the amygdala might be tuned to either (1) general emotional arousal (activation vs deactivation) or (2) specific emotion categories (fear vs happy). Delineating the pure effects of valence independent of arousal or emotion category is a challenging task, given that these variables naturally covary under many circumstances. To circumvent this issue and test the sensitivity of the human amygdala to valence values specifically, we measured the dimension of valence within the single facial expression category of surprise. Given the inherent valence ambiguity of this category, we show that surprised expression exemplars are attributed valence and arousal values that are uniquely and naturally uncorrelated. We then present fMRI data from both sexes, showing that the amygdala tracks these consensus valence values. Finally, we provide evidence that these valence values are linked to specific visual features of the mouth region, isolating the signal by which the amygdala detects this valence information. SIGNIFICANCE STATEMENT There is an open question as to whether human amygdala function tracks the valence value of cues in the environment, as opposed to either a more general emotional arousal value or a more specific emotion category distinction. Here, we demonstrate the utility of surprised facial expressions because exemplars within this emotion category take on valence values spanning the dimension of bipolar valence (positive to negative) at a consistent level of emotional arousal. Functional neuroimaging data showed that amygdala responses tracked the valence of surprised facial expressions, unconfounded by arousal. Furthermore, a machine learning classifier identified

  20. Optoelectronic properties of valence-state-controlled amorphous niobium oxide

    Science.gov (United States)

    Onozato, Takaki; Katase, Takayoshi; Yamamoto, Akira; Katayama, Shota; Matsushima, Koichi; Itagaki, Naho; Yoshida, Hisao; Ohta, Hiromichi

    2016-06-01

    In order to understand the optoelectronic properties of amorphous niobium oxide (a-NbO x ), we have investigated the valence states, local structures, electrical resistivity, and optical absorption of a-NbO x thin films with various oxygen contents. It was found that the valence states of Nb ion in a-NbO x films can be controlled from 5+  to 4+  by reducing oxygen pressure during film deposition at room temperature, together with changing the oxide-ion arrangement around Nb ion from Nb2O5-like to NbO2-like local structure. As a result, a four orders of magnitude reduction in the electrical resistivity of a-NbO x films was observed with decreasing oxygen content, due to the carrier generation caused by the appearance and increase of an oxygen-vacancy-related subgap state working as an electron donor. The tunable optoelectronic properties of a-NbO x films by valence-state-control with oxygen-vacancy formation will be useful for potential flexible optoelectronic device applications.

  1. Basic features of the pion valence-quark distribution function

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Lei [CSSM, School of Chemistry and Physics, University of Adelaide, Adelaide, SA 5005 (Australia); Mezrag, Cédric; Moutarde, Hervé [Centre de Saclay, IRFU/Service de Physique Nucléaire, F-91191 Gif-sur-Yvette (France); Roberts, Craig D. [Physics Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Rodríguez-Quintero, Jose [Departamento de Física Aplicada, Facultad de Ciencias Experimentales, Universidad de Huelva, Huelva E-21071 (Spain); Tandy, Peter C. [Center for Nuclear Research, Department of Physics, Kent State University, Kent, OH 44242 (United States)

    2014-10-07

    The impulse-approximation expression used hitherto to define the pion's valence-quark distribution function is flawed because it omits contributions from the gluons which bind quarks into the pion. A corrected leading-order expression produces the model-independent result that quarks dressed via the rainbow–ladder truncation, or any practical analogue, carry all the pion's light-front momentum at a characteristic hadronic scale. Corrections to the leading contribution may be divided into two classes, responsible for shifting dressed-quark momentum into glue and sea-quarks. Working with available empirical information, we use an algebraic model to express the principal impact of both classes of corrections. This enables a realistic comparison with experiment that allows us to highlight the basic features of the pion's measurable valence-quark distribution, q{sup π}(x); namely, at a characteristic hadronic scale, q{sup π}(x)∼(1−x){sup 2} for x≳0.85; and the valence-quarks carry approximately two-thirds of the pion's light-front momentum.

  2. Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals.

    Science.gov (United States)

    Sayfutyarova, Elvira R; Sun, Qiming; Chan, Garnet Kin-Lic; Knizia, Gerald

    2017-09-12

    We introduce the atomic valence active space (AVAS), a simple and well-defined automated technique for constructing active orbital spaces for use in multiconfiguration and multireference (MR) electronic structure calculations. Concretely, the technique constructs active molecular orbitals capable of describing all relevant electronic configurations emerging from a targeted set of atomic valence orbitals (e.g., the metal d orbitals in a coordination complex). This is achieved via a linear transformation of the occupied and unoccupied orbital spaces from an easily obtainable single-reference wave function (such as from a Hartree-Fock or Kohn-Sham calculations) based on projectors to targeted atomic valence orbitals. We discuss the premises, theory, and implementation of the idea, and several of its variations are tested. To investigate the performance and accuracy, we calculate the excitation energies for various transition-metal complexes in typical application scenarios. Additionally, we follow the homolytic bond breaking process of a Fenton reaction along its reaction coordinate. While the described AVAS technique is not a universal solution to the active space problem, its premises are fulfilled in many application scenarios of transition-metal chemistry and bond dissociation processes. In these cases the technique makes MR calculations easier to execute, easier to reproduce by any user, and simplifies the determination of the appropriate size of the active space required for accurate results.

  3. Chromium valences in ureilite olivine and implications for ureilite petrogenesis

    Science.gov (United States)

    Goodrich, C. A.; Sutton, S. R.; Wirick, S.; Jercinovic, M. J.

    2013-12-01

    Ureilites are a group of ultramafic achondrites commonly thought to be residues of partial melting on a carbon-rich asteroid. They show a large variation in FeO content (olivine Fo values ranging from ∼74 to 95) that cannot be due to igneous fractionation and suggests instead variation in oxidation state. The presence of chromite in only a few of the most ferroan (Fo 75-76) samples appears to support such a model. MicroXANES analyses were used in this study to determine the valence states of Cr (previously unknown) in olivine cores of 11 main group ureilites. The goal of this work was to use a method that is independent of Fo to determine the oxidation conditions under which ureilites formed, in order to evaluate whether the ureilite FeO-variation is correlated with oxidation state, and whether it is nebular or planetary in origin. Two of the analyzed samples, LEW 88774 (Fo 74.2) and NWA 766 (Fo 76.7) contain primary chromite; two others, LAP 03587 (Fo 74.4) and CMS 04048 (Fo 76.2) contain sub-micrometer-sized exsolutions of chromite + Ca-rich pyroxene in olivine; and one, EET 96328 (Fo 85.2) contains an unusual chromite grain of uncertain origin. No chromite has been observed in the remaining six samples (Fo 77.4-92.3). Chromium in olivine in all eleven samples was found to be dominated by the divalent species, with valences ranging from 2.10 ± 0.02 (1σ) to 2.46 ± 0.04. The non-chromite-bearing ureilites have the most reduced Cr, with a weighted mean valence of 2.12 ± 0.01, i.e., Cr2+/Cr3+ = 7.33. All low-Fo chromite-bearing ureilites have more oxidized Cr, with valences ranging from 2.22 ± 0.03 to 2.46 ± 0.04. EET 96328, whose chromite grain we interpret as a late-crystallizing phase, yielded a reduced Cr valence of 2.15 ± 0.07, similar to the non-chromite-bearing samples. Based on the measured Cr valences, magmatic (1200-1300 °C) oxygen fugacities (fO2) of the non-chromite-bearing samples were estimated to be in the range IW-1.9 to IW-2.8 (assuming

  4. Alignment of concerns

    DEFF Research Database (Denmark)

    Andersen, Tariq Osman; Bansler, Jørgen P.; Kensing, Finn

    E-health promises to enable and support active patient participation in chronic care. However, these fairly recent innovations are complicated matters and emphasize significant challenges, such as patients’ and clinicians’ different ways of conceptualizing disease and illness. Informed by insight...... from medical phenomenology and our own empirical work in telemonitoring and medical care of heart patients, we propose a design rationale for e-health systems conceptualized as the ‘alignment of concerns’....

  5. Alignment at the ESRF

    International Nuclear Information System (INIS)

    Martin, D.; Levet, N.; Gatta, G.

    1999-01-01

    The ESRF Survey and Alignment group is responsible for the installation, control and periodic realignment of the accelerators and experiments which produce high quality x-rays used by scientists from Europe and around the world. Alignment tolerances are typically less than one millimetre and often in the order of several micrometers. The group is composed of one engineer, five highly trained survey technicians, one electronic and one computer technician. This team is fortified during peak periods by technicians from an external survey company. First an overview and comparative study of the main large-scale survey instrumentation and methods used by the group is made. Secondly a discussion of long term deformation on the ESRF site is presented. This is followed by presentation of the methods used in the realignment of the various machines. Two important aspects of our work, beamline and front-end alignment, and the so-called machine exotic devices are briefly discussed. Finally, the ESRF calibration bench is presented. (authors)

  6. Seeking the perfect alignment

    CERN Multimedia

    2002-01-01

    The first full-scale tests of the ATLAS Muon Spectrometer are about to begin in Prévessin. The set-up includes several layers of Monitored Drift Tubes Chambers (MDTs) and will allow tests of the performance of the detectors and of their highly accurate alignment system.   Monitored Drift Chambers in Building 887 in Prévessin, where they are just about to be tested. Muon chambers are keeping the ATLAS Muon Spectrometer team quite busy this summer. Now that most people go on holiday, the beam and alignment tests for these chambers are just starting. These chambers will measure with high accuracy the momentum of high-energy muons, and this implies very demanding requirements for their alignment. The MDT chambers consist of drift tubes, which are gas-filled metal tubes, 3 cm in diameter, with wires running down their axes. With high voltage between the wire and the tube wall, the ionisation due to traversing muons is detected as electrical pulses. With careful timing of the pulses, the position of the muon t...

  7. Alignment sensing and control in advanced LIGO

    International Nuclear Information System (INIS)

    Barsotti, L; Evans, M; Fritschel, P

    2010-01-01

    The advanced LIGO detectors are currently in their final design stage, and the installation phase will start at the end of 2010: they will have about 10 times better sensitivity than initial LIGO, with a sensitive band ranging from 10 Hz to 10 kHz. As compared with previous LIGO detectors, there will be increased complexity in the optical configuration, improved seismic isolation system and significantly higher power circulating in the arm cavities. In the new detectors, the control of the angular orientation of the mirrors will be particularly challenging. The advanced LIGO (aLIGO) mirrors need to have a residual angular motion of the order of 1 nrad RMS in order to achieve high sensitivity. In the high power regime, the torque induced by radiation pressure effects will be comparable with the restoring torque of the mirror suspension, such that we must think of the opto-mechanical response, instead of just the mechanical response. These modifications have to be considered in order to design the control strategy for keeping the mirrors well aligned. Moreover, to meet the sensitivity target the alignment control noise coupled to the gravitational-wave channel must be well below 6x10 -18 m/√Hz at 10 Hz. We developed a model of the alignment sensing and control scheme of aLIGO which takes into account radiation pressure effects and meets the noise target.

  8. Excitations of one-valence-proton, one-valence-neutron nucleus {sup 210}Bi from cold-neutron capture

    Energy Technology Data Exchange (ETDEWEB)

    Cieplicka-Oryńczak, N. [INFN sezione di Milano, Via Celoria 16, 20133 Milano (Italy); Institute of Nuclear Physics, Polish Academy of Sciences, PL-31342 Kraków (Poland); Fornal, B.; Szpak, B. [Institute of Nuclear Physics, Polish Academy of Sciences, PL-31342 Kraków (Poland); Leoni, S.; Bottoni, S. [INFN sezione di Milano, Via Celoria 16, 20133 Milano (Italy); Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Bazzacco, D. [Dipartimento di Fisica e Astronomia dell’Università, I-35131 Padova (Italy); INFN Sezione di Padova, I-35131 Padova (Italy); Blanc, A.; Jentschel, M.; Köster, U.; Mutti, P.; Soldner, T. [Institute Laue-Langevin, 6, rue Jules Horowitz, 38042 Grenoble Cedex 9 (France); Bocchi, G. [Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); France, G. de [GANIL, Bd. Becquerel, BP 55027, 14076 CAEN Cedex 05 (France); Simpson, G. [LPSC, Université Joseph Fourier Grenoble 1, CNRS/IN2P3, Institut National Polytechnique de Grenoble, F-38026 Grenoble Cedex (France); Ur, C. [INFN Sezione di Padova, Via F. Marzolo 8, I-35131 Padova (Italy); Urban, W. [Faculty of Physics, University of Warsaw, ul. Hoża 69, 02-681, Warszawa (Poland)

    2015-10-15

    The low-spin structure of one-proton, one-neutron {sup 210}Bi nucleus was investigated in cold-neutron capture reaction on {sup 209}Bi. The γ-coincidence measurements were performed with use of EXILL array consisted of 16 HPGe detectors. The experimental results were compared to shell-model calculations involving valence particles excitations. The {sup 210}Bi nucleus offers the potential to test the effective proton-neutron interactions because most of the states should arise from the proton-neutron excitations. Additionally, it was discovered that a few states should come from the couplings of valence particles to the 3{sup −} octupole vibration in {sup 208}Pb which provides also the possibility of testing the calculations involving the core excitations.

  9. Energy band dispersion in photoemission spectra of argon clusters

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  10. Valenced cues and contexts have different effects on event-based prospective memory.

    Science.gov (United States)

    Graf, Peter; Yu, Martin

    2015-01-01

    This study examined the separate influence and joint influences on event-based prospective memory task performance due to the valence of cues and the valence of contexts. We manipulated the valence of cues and contexts with pictures from the International Affective Picture System. The participants, undergraduate students, showed higher performance when neutral compared to valenced pictures were used for cueing prospective memory. In addition, neutral pictures were more effective as cues when they occurred in a valenced context than in the context of neutral pictures, but the effectiveness of valenced cues did not vary across contexts that differed in valence. The finding of an interaction between cue and context valence indicates that their respective influence on event-based prospective memory task performance cannot be understood in isolation from each other. Our findings are not consistent with by the prevailing view which holds that the scope of attention is broadened and narrowed, respectively, by positively and negatively valenced stimuli. Instead, our findings are more supportive of the recent proposal that the scope of attention is determined by the motivational intensity associated with valenced stimuli. Consistent with this proposal, we speculate that the motivational intensity associated with different retrieval cues determines the scope of attention, that contexts with different valence values determine participants' task engagement, and that prospective memory task performance is determined jointly by attention scope and task engagement.

  11. Valenced cues and contexts have different effects on event-based prospective memory.

    Directory of Open Access Journals (Sweden)

    Peter Graf

    Full Text Available This study examined the separate influence and joint influences on event-based prospective memory task performance due to the valence of cues and the valence of contexts. We manipulated the valence of cues and contexts with pictures from the International Affective Picture System. The participants, undergraduate students, showed higher performance when neutral compared to valenced pictures were used for cueing prospective memory. In addition, neutral pictures were more effective as cues when they occurred in a valenced context than in the context of neutral pictures, but the effectiveness of valenced cues did not vary across contexts that differed in valence. The finding of an interaction between cue and context valence indicates that their respective influence on event-based prospective memory task performance cannot be understood in isolation from each other. Our findings are not consistent with by the prevailing view which holds that the scope of attention is broadened and narrowed, respectively, by positively and negatively valenced stimuli. Instead, our findings are more supportive of the recent proposal that the scope of attention is determined by the motivational intensity associated with valenced stimuli. Consistent with this proposal, we speculate that the motivational intensity associated with different retrieval cues determines the scope of attention, that contexts with different valence values determine participants' task engagement, and that prospective memory task performance is determined jointly by attention scope and task engagement.

  12. Band Offsets at the Interface between Crystalline and Amorphous Silicon from First Principles

    Science.gov (United States)

    Jarolimek, K.; Hazrati, E.; de Groot, R. A.; de Wijs, G. A.

    2017-07-01

    The band offsets between crystalline and hydrogenated amorphous silicon (a -Si ∶H ) are key parameters governing the charge transport in modern silicon heterojunction solar cells. They are an important input for macroscopic simulators that are used to further optimize the solar cell. Past experimental studies, using x-ray photoelectron spectroscopy (XPS) and capacitance-voltage measurements, have yielded conflicting results on the band offset. Here, we present a computational study on the band offsets. It is based on atomistic models and density-functional theory (DFT). The amorphous part of the interface is obtained by relatively long DFT first-principles molecular-dynamics runs at an elevated temperature on 30 statistically independent samples. In order to obtain a realistic conduction-band position the electronic structure of the interface is calculated with a hybrid functional. We find a slight asymmetry in the band offsets, where the offset in the valence band (0.29 eV) is larger than in the conduction band (0.17 eV). Our results are in agreement with the latest XPS measurements that report a valence-band offset of 0.3 eV [M. Liebhaber et al., Appl. Phys. Lett. 106, 031601 (2015), 10.1063/1.4906195].

  13. Metal-like Band Structures of Ultrathin Si {111} and {112} Surface Layers Revealed through Density Functional Theory Calculations.

    Science.gov (United States)

    Tan, Chih-Shan; Huang, Michael H

    2017-09-04

    Density functional theory calculations have been performed on Si (100), (110), (111), and (112) planes with tunable number of planes for evaluation of their band structures and density of states profiles. The purpose is to see whether silicon can exhibit facet-dependent properties derived from the presence of a thin surface layer having different band structures. No changes have been observed for single to multiple layers of Si (100) and (110) planes with a consistent band gap between the valence band and the conduction band. However, for 1, 2, 4, and 5 Si (111) and (112) planes, metal-like band structures were obtained with continuous density of states going from the valence band to the conduction band. For 3, 6, and more Si (111) planes, as well as 3 and 6 Si (112) planes, the same band structure as that seen for Si (100) and (110) planes has been obtained. Thus, beyond a layer thickness of five Si (111) planes at ≈1.6 nm, normal semiconductor behavior can be expected. The emergence of metal-like band structures for the Si (111) and (112) planes are related to variation in Si-Si bond length and bond distortion plus 3s and 3p orbital electron contributions in the band structure. This work predicts possession of facet-dependent electrical properties of silicon with consequences in FinFET transistor design. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. The CMS Muon System Alignment

    CERN Document Server

    Martinez Ruiz-Del-Arbol, P

    2009-01-01

    The alignment of the muon system of CMS is performed using different techniques: photogrammetry measurements, optical alignment and alignment with tracks. For track-based alignment, several methods are employed, ranging from a hit and impact point (HIP) algorithm and a procedure exploiting chamber overlaps to a global fit method based on the Millepede approach. For start-up alignment as long as available integrated luminosity is still significantly limiting the size of the muon sample from collisions, cosmic muon and beam halo signatures play a very strong role. During the last commissioning runs in 2008 the first aligned geometries have been produced and validated with data. The CMS offline computing infrastructure has been used in order to perform improved reconstructions. We present the computational aspects related to the calculation of alignment constants at the CERN Analysis Facility (CAF), the production and population of databases and the validation and performance in the official reconstruction. Also...

  15. Clear aligners in orthodontic treatment.

    Science.gov (United States)

    Weir, T

    2017-03-01

    Since the introduction of the Tooth Positioner (TP Orthodontics) in 1944, removable appliances analogous to clear aligners have been employed for mild to moderate orthodontic tooth movements. Clear aligner therapy has been a part of orthodontic practice for decades, but has, particularly since the introduction of Invisalign appliances (Align Technology) in 1998, become an increasingly common addition to the orthodontic armamentarium. An internet search reveals at least 27 different clear aligner products currently on offer for orthodontic treatment. The present paper will highlight the increasing popularity of clear aligner appliances, as well as the clinical scope and the limitations of aligner therapy in general. Further, the paper will outline the differences between the various types of clear aligner products currently available. © 2017 Australian Dental Association.

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  17. Band-to-band tunneling distance analysis in the heterogate electron–hole bilayer tunnel field-effect transistor

    Energy Technology Data Exchange (ETDEWEB)

    Padilla, J. L., E-mail: jose.padilladelatorre@epfl.ch [Nanoelectronic Devices Laboratory, École Polytechnique Fédérale de Lausanne, Lausanne CH-1015 (Switzerland); Departamento de Electrónica y Tecnología de los Computadores, Universidad de Granada, Avda. Fuentenueva s/n, 18071 Granada (Spain); Palomares, A. [Departamento de Matemática Aplicada, Universidad de Granada, Avda. Fuentenueva s/n, 18071 Granada (Spain); Alper, C.; Ionescu, A. M. [Nanoelectronic Devices Laboratory, École Polytechnique Fédérale de Lausanne, Lausanne CH-1015 (Switzerland); Gámiz, F. [Departamento de Electrónica y Tecnología de los Computadores, Universidad de Granada, Avda. Fuentenueva s/n, 18071 Granada (Spain)

    2016-01-28

    In this work, we analyze the behavior of the band-to-band tunneling distance between electron and hole subbands resulting from field-induced quantum confinement in the heterogate electron–hole bilayer tunnel field-effect transistor. We show that, analogously to the explicit formula for the tunneling distance that can be easily obtained in the semiclassical framework where the conduction and valence band edges are allowed states, an equivalent analytical expression can be derived in the presence of field-induced quantum confinement for describing the dependence of the tunneling distance on the body thickness and material properties of the channel. This explicit expression accounting for quantum confinement holds valid provided that the potential wells for electrons and holes at the top and bottom of the channel can be approximated by triangular profiles. Analytical predictions are compared to simulation results showing very accurate agreement.

  18. Terahertz emission from CdHgTe/HgTe quantum wells with an inverted band structure

    Energy Technology Data Exchange (ETDEWEB)

    Vasilyev, Yu. B., E-mail: Yu.Vasilyev@mail.ioffe.ru [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Mikhailov, N. N. [Russian Academy of Sciences, Rzhanov Institute of Semiconductor Physics, Siberian Branch (Russian Federation); Vasilyeva, G. Yu.; Ivánov, Yu. L.; Zakhar’in, A. O.; Andrianov, A. V. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Vorobiev, L. E.; Firsov, D. A. [Peter the Great Saint-Petersburg Polytechnic University (Russian Federation); Grigoriev, M. N. [Ustinov Baltic State Technical University “VOENMEKh” (Russian Federation); Antonov, A. V.; Ikonnikov, A. V.; Gavrilenko, V. I. [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation)

    2016-07-15

    The terahertz electroluminescence from Cd{sub 0.7}Hg{sub 0.3}Te/HgTe quantum wells with an inverted band structure in lateral electric fields is experimentally detected and studied. The emission-spectrum maximum for wells 6.5 and 7 nm wide is near 6 meV which corresponds to interband optical transitions. The emission is explained by state depletion in the valence band and conduction band filling due to Zener tunneling, which is confirmed by power-law current–voltage characteristics.

  19. Three band crossings in the yrast structure of 162Hf

    International Nuclear Information System (INIS)

    Bingham, C.R.; Riedinger, L.L.; Courtney, L.H.

    1988-01-01

    The yrast sequence of 162 Hf has been observed up to a level tentatively assigned as 38 + and reveals a continuing rotational character up to that spin. Sharp backbends at rotational frequencies of 0.27 and 0.42 MeV/ℎ are attributed to isub(13/2) neutron and hsub(11/2) proton alignments, respectively. A gradual increase in the aligned angular momentum of the yrast levels between these two sharp backbends is attributed to the rotational alignment of a pair of negative parity quasineutrons (mostly hsub(9/2) in character). The interpretation of this effect is supported by the failure of the negative parity bands, which already contain this aligned hsub(9/2) neutron, to gain alignment in the same rotational frequency range. While the alignment of the hsub(9/2) quasineutrons has been predicted in the cranked shell model to occur in the rare-earth region with a large interaction strength, this represents the first clear observation of such a band crossing. (author)

  20. Microscopic mechanism of identical multi-quasiparticle bands

    International Nuclear Information System (INIS)

    Lei Yian; Zhao Enguang; Zeng Jinyan

    1997-01-01

    Identical one-quasiparticle and two-quasiparticle bands in neighboring odd-and even-mass nuclei are recognized; The intrinsic structure of identical bands is demonstrated by using the particle-number-conserving (PNC) treatment. The occurrence of almost identical moments of inertia is the result of competition among the shell effect (including shape variation), pairing (anti-alignment) effect and blocking (anti-pairing) effect. The observed moments of inertia of identical multi-quasiparticle bands are reproduced quite well by the PNC calculation