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.

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.

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.

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.

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

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

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.

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.

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.

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

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

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.

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.

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

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....

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

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.

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

Directory of Open Access Journals (Sweden)

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.

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

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.

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.

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.

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

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.

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.

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)

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

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)

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

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.

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).

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.

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

Attenuation and velocity dispersion in the exploration seismic frequency band

Science.gov (United States)

Sun, Langqiu

In an anelastic medium, seismic waves are distorted by attenuation and velocity dispersion, which depend on petrophysical properties of reservoir rocks. The effective attenuation and velocity dispersion is a combination of intrinsic attenuation and apparent attenuation due to scattering, transmission response, and data acquisition system. Velocity dispersion is usually neglected in seismic data processing partly because of insufficient observations in the exploration seismic frequency band. This thesis investigates the methods of measuring velocity dispersion in the exploration seismic frequency band and interprets the velocity dispersion data in terms of petrophysical properties. Broadband, uncorrelated vibrator data are suitable for measuring velocity dispersion in the exploration seismic frequency band, and a broad bandwidth optimizes the observability of velocity dispersion. Four methods of measuring velocity dispersion in uncorrelated vibrator VSP data are investigated, which are the sliding window crosscorrelation (SWCC) method, the instantaneous phase method, the spectral decomposition method, and the cross spectrum method. Among them, the SWCC method is a new method and has satisfactory robustness, accuracy, and efficiency. Using the SWCC method, velocity dispersion is measured in the uncorrelated vibrator VSP data from three areas with different geological settings, i.e., Mallik gas hydrate zone, McArthur River uranium mines, and Outokumpu crystalline rocks. The observed velocity dispersion is fitted to a straight line with respect to log frequency for a constant (frequency-independent) Q value. This provides an alternative method for calculating Q. A constant Q value does not directly link to petrophysical properties. A modeling study is implemented for the Mallik and McArthur River data to interpret the velocity dispersion observations in terms of petrophysical properties. The detailed multi-parameter petrophysical reservoir models are built according to

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)

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

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.

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

DEFF Research Database (Denmark)

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

1977-01-01

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

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.

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.

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

Ductility Enhancement of Molybdenum Phase by Nano-sizedd Oxide Dispersions

Energy Technology Data Exchange (ETDEWEB)

Bruce Kang

2008-07-31

The present research is focused on ductility enhancement of molybdenum (Mo) alloys by adding nano-sized oxide particles to the alloy system. The research approach includes: (1) determination of microscopic mechanisms responsible for the macroscopic ductility enhancement effects through atomistic modeling of the metal-ceramic interface; (2) subsequent computer simulation-aided optimization of composition and nanoparticle size of the dispersion for improved performance; (3) synthesis and characterization of nanoparticle dispersion following the guidance from atomistic computational modeling analyses (e.g., by processing a small sample of Mo alloy for evaluation); and (4) experimental testing of the mechanical properties to determine optimal ductility enhancement.Through atomistic modeling and electronic structure analysis using full-potential linearized muffin-tin orbital (FP-LMTO) techniques, research to date has been performed on a number of selected chromium (Cr) systems containing nitrogen (N) and/or magnesium oxide (MgO) impurities. The emphasis has been on determining the properties of the valence electrons and the characteristics of the chemical bonds they formed. It was found that the brittle/ductile behavior of this transitional metal system is controlled by the relative population of valence charges: bonds formed by s valence electrons yield metallic, ductile behavior, whereas bonds formed by d valence electrons lead to covalent, brittle behavior. The presence of valence bands from impurities also affects the metal bonding, thereby explaining the detrimental and beneficial effects induced by the inclusion of N impurities and MgO dispersions. These understandings are useful for optimizing ductility enhancement effects on the dispersion materials.

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

Controllable Absorption and Dispersion Properties of an RF-driven Five-Level Atom in a Double-Band Photonic-Band-Gap Material

International Nuclear Information System (INIS)

Ding Chunling; Li Jiahua; Yang Xiaoxue

2011-01-01

The probe absorption-dispersion spectra of a radio-frequency (RF)-driven five-level atom embedded in a photonic crystal are investigated by considering the isotropic double-band photonic-band-gap (PBG) reservoir. In the model used, the two transitions are, respectively, coupled by the upper and lower bands in such a PBG material, thus leading to some curious phenomena. Numerical simulations are performed for the optical spectra. It is found that when one transition frequency is inside the band gap and the other is outside the gap, there emerge three peaks in the absorption spectra. However, for the case that two transition frequencies lie inside or outside the band gap, the spectra display four absorption profiles. Especially, there appear two sharp peaks in the spectra when both transition frequencies exist inside the band gap. The influences of the intensity and frequency of the RF-driven field on the absorptive and dispersive response are analyzed under different band-edge positions. It is found that a transparency window appears in the absorption spectra and is accompanied by a very steep variation of the dispersion profile by adjusting system parameters. These results show that the absorption-dispersion properties of the system depend strongly on the RF-induced quantum interference and the density of states (DOS) of the PBG reservoir. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

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.

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.

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.

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.

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)

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.

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.

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.

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

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

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.

Relativistic energy-dispersion relations of 2D rectangular lattices

Science.gov (United States)

Ata, Engin; Demirhan, Doğan; Büyükkılıç, Fevzi

2017-04-01

An exactly solvable relativistic approach based on inseparable periodic well potentials is developed to obtain energy-dispersion relations of spin states of a single-electron in two-dimensional (2D) rectangular lattices. Commutation of axes transfer matrices is exploited to find energy dependencies of the wave vector components. From the trace of the lattice transfer matrix, energy-dispersion relations of conductance and valence states are obtained in transcendental form. Graphical solutions of relativistic and nonrelativistic transcendental energy-dispersion relations are plotted to compare how lattice parameters V0, core and interstitial size of the rectangular lattice affects to the energy-band structures in a situation core and interstitial diagonals are of equal slope.

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.

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.

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.

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)

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.

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

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.

Photonic Band Structure of Dispersive Metamaterials Formulated as a Hermitian Eigenvalue Problem

KAUST Repository

Raman, Aaswath

2010-02-26

We formulate the photonic band structure calculation of any lossless dispersive photonic crystal and optical metamaterial as a Hermitian eigenvalue problem. We further show that the eigenmodes of such lossless systems provide an orthonormal basis, which can be used to rigorously describe the behavior of lossy dispersive systems in general. © 2010 The American Physical Society.

Photonic Band Structure of Dispersive Metamaterials Formulated as a Hermitian Eigenvalue Problem

KAUST Repository

Raman, Aaswath; Fan, Shanhui

2010-01-01

We formulate the photonic band structure calculation of any lossless dispersive photonic crystal and optical metamaterial as a Hermitian eigenvalue problem. We further show that the eigenmodes of such lossless systems provide an orthonormal basis, which can be used to rigorously describe the behavior of lossy dispersive systems in general. © 2010 The American Physical Society.

Energy dispersions of single-crystalline Bi2.0Sr1.8Ca0.8La0.3Cu2.1O8+δ superconductors determined using angle-resolved photoelectron spectroscopy

International Nuclear Information System (INIS)

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

1989-01-01

Angle-resolved photoemission studies of single-crystalline La-doped Bi-Sr-Ca-Cu- 90-K superconductors (Bi 2.0 Sr 1.8 Ca 0.8 La 0.3 Cu 2.1 O 8+δ ) were performed utilizing synchrotron radiation covering the photon energy range 10--40 eV. The data conclusively reveal a dispersionless character of the valence-band states as a function of the wave-vector component parallel to the c axis, in agreement with the predictions of band calculations. Band effects are evident from both intensity modulations of the spectral features in the valence band and from energy dispersions as a function of the wave vector component lying in the basal a-b plane

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

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.

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

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

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

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.

Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids.

Science.gov (United States)

Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S

2015-06-18

We have performed ab initio calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods were accounted in DFT, namely the Tkatchenko-Scheffler method (with and without self-consistent screening), Grimme's methods (D2, D3(BJ)), and the vdW-DF method. Our results reveal that dispersion correction methods are essential in understanding these complex structures with van der Waals interactions and hydrogen bonding. The calculated ground state volumes and bulk moduli show that the performance of each method is not unique, and therefore a careful examination is mandatory for interpreting theoretical predictions. This work also emphasizes the importance of quasiparticle calculations in predicting the band gap, which is obtained here with the GW approximation. We find that the obtained band gaps are ranging from 4 to 7 eV for the different compounds, indicating their insulating nature. In addition, we show the essential role of quasiparticle band structure calculations to correlate the gap with the energetic properties.

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.

Electronic structure investigation of oxidized aluminium films with electron momentum spectroscopy

International Nuclear Information System (INIS)

Guo, X.; Canney, S.; Kheifets, A.S.; Vos, M.; Fang, Z.; Utteridge, S.; McCarthy, I.E.; Weigold, E.

1996-09-01

Electron momentum spectroscopy (EMS) of (e, 2e) measurements with oxidized aluminium thin films have been performed. Due to the surface sensitive mature of the EMS spectrometer employed the measured (e, 2e) events come from the front oxidized layer as viewed by the electron detectors. The measurements show clearly two major features in the spectral momentum density distribution and they are related to the upper valence band and the lower valence band of aluminum oxide. The first is a 'dual parabola' energy-momentum dispersion pattern spanning about 8 eV in the upper valence band. This 'dual parabola' pattern has been qualitatively reproduced by a linear muffin-tin orbital (LMTO) calculation on spherically averaged α-A1 2 O 3 with nearly the same energy span. In the lower valence band, the LMTO calculation indicates a dispersion spanning about 5 eV, and the measured spectral momentum density plot shows a similar 'bowl' shape but with less dispersion. The possible causes which blur the dispersion in the lower valence band are discussed. Other features in the spectral momentum density distribution are also discussed and compared with the LMTO calculation. 45 refs., 1 tab., 10 figs

Development of wave length-dispersive soft x-ray emission spectrometers for transmission electron microscopes - an introduction of valence electron spectroscopy for transmission electron microscopy

International Nuclear Information System (INIS)

Terauchi, Masami; Koike, Masato; Fukushima, Kurio; Kimura, Atsushi

2010-01-01

Two types of wavelength-dispersive soft X-ray spectrometers, a high-dispersion type and a conventional one, for transmission electron microscopes were constructed. Those spectrometers were used to study the electronic states of valence electrons (bonding electrons). Both spectrometers extended the acceptable energy regions to higher than 2000 eV. The best energy resolution of 0.08 eV was obtained for an Al L-emission spectrum by using the high-dispersion type spectrometer. By using the spectrometer, C K-emission of carbon allotropes, Cu L-emission of Cu 1-x Zn x alloys and Pt M-emission spectra were presented. The FWHM value of 12 eV was obtained for the Pt Mα-emission peak. The performance of the conventional one was also presented for ZnS and a section specimen of a multilayer device. W-M and Si-K emissions were clearly resolved. Soft X-ray emission spectroscopy based on transmission electron microscopy (TEM) has an advantage for obtaining spectra from a single crystalline specimen with a defined crystal setting. As an example of anisotropic soft X-ray emission, C K-emission spectra of single crystalline graphite with different crystal settings were presented. From the spectra, density of states of π- and σ-bondings were separately derived. These results demonstrated a method to analyse the electronic states of valence electrons of materials in the nanometre scale based on TEM. (author)

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

International Nuclear Information System (INIS)

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

2003-01-01

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

Band structure of ABC-trilayer graphene superlattice

International Nuclear Information System (INIS)

Uddin, Salah; Chan, K. S.

2014-01-01

We investigate the effect of one-dimensional periodic potentials on the low energy band structure of ABC trilayer graphene first by assuming that all the three layers have the same potential. Extra Dirac points having the same electron hole crossing energy as that of the original Dirac point are generated by superlattice potentials with equal well and barrier widths. When the potential height is increased, the numbers of extra Dirac points are increased. The dispersions around the Dirac points are not isotropic. It is noted that the dispersion along the k y direction for k x  = 0 oscillates between a non-linear dispersion and a linear dispersion when the potential height is increased. When the well and barrier widths are not identical, the symmetry of the conduction and valence bands is broken. The extra Dirac points are shifted either upward or downward depending on the barrier and well widths from the zero energy, while the position of the central Dirac point oscillates with the superlattice potential height. By considering different potentials for different layers, extra Dirac points are generated not from the original Dirac points but from the valleys formed in the energy spectrum. Two extra Dirac points appear from each pair of touched valleys, so four Dirac points appeared in the spectrum at particular barrier height. By increasing the barrier height of superlattice potential two Dirac points merge into the original Dirac point. This emerging and merging of extra Dirac points is different from the equal potential case

Fivefold Symmetric Photonic Quasi-Crystal Fiber for Dispersion Compensation from S- to L-Band and Optimized at 1.55 μm

Directory of Open Access Journals (Sweden)

Sivacoumar Rajalingam

2015-01-01

Full Text Available A highly dispersive dual core quasi-periodic photonic crystal fiber is proposed for chromatic dispersion compensation. The dispersion for the dual concentric core fiber is optimized to compensate the chromatic dispersion with a high negative dispersion, accomplishing the communication bandwidth from S-band (1460 nm to L-band (1625 nm. By precise control of structural parameter we have achieved a maximum dispersion of −18,838 ps/nm-km with the phase matching wavelength centred around 1.55 μm. We also numerically investigate the influence of structural parameter and doping effects and its response on peak dispersion parameter.

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

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.

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.

Electronic structure of germanium selenide investigated using ultra-violet photo-electron spectroscopy

Science.gov (United States)

Mishra, P.; Lohani, H.; Kundu, A. K.; Patel, R.; Solanki, G. K.; Menon, Krishnakumar S. R.; Sekhar, B. R.

2015-07-01

The valence band electronic structure of GeSe single crystals has been investigated using angle resolved photoemission spectroscopy (ARPES) and x-ray photoelectron spectroscopy. The experimentally observed bands from ARPES, match qualitatively with our LDA-based band structure calculations along the Γ-Z, Γ-Y and Γ-T symmetry directions. The valence band maximum occurs nearly midway along the Γ-Z direction, at a binding energy of -0.5 eV, substantiating the indirect band gap of GeSe. Non-dispersive features associated with surface states and indirect transitions have been observed. The difference in hybridization of Se and Ge 4p orbitals leads to the variation of dispersion along the three symmetry directions. The predominance of the Se 4pz orbitals, evidenced from theoretical calculations, may be the cause for highly dispersive bands along the Γ-T direction. Detailed electronic structure analysis reveals the significance of the cation-anion 4p orbitals hybridization in the valence band dispersion of IV-VI semiconductors. This is the first comprehensive report of the electronic structure of a GeSe single crystal using ARPES in conjugation with theoretical band structure analysis.

Electronic structure of germanium selenide investigated using ultra-violet photo-electron spectroscopy

International Nuclear Information System (INIS)

Mishra, P; Lohani, H; Sekhar, B R; Kundu, A K; Menon, Krishnakumar S R; Patel, R; Solanki, G K

2015-01-01

The valence band electronic structure of GeSe single crystals has been investigated using angle resolved photoemission spectroscopy (ARPES) and x-ray photoelectron spectroscopy. The experimentally observed bands from ARPES, match qualitatively with our LDA-based band structure calculations along the Γ–Z, Γ–Y and Γ–T symmetry directions. The valence band maximum occurs nearly midway along the Γ–Z direction, at a binding energy of −0.5 eV, substantiating the indirect band gap of GeSe. Non-dispersive features associated with surface states and indirect transitions have been observed. The difference in hybridization of Se and Ge 4p orbitals leads to the variation of dispersion along the three symmetry directions. The predominance of the Se 4p z orbitals, evidenced from theoretical calculations, may be the cause for highly dispersive bands along the Γ–T direction. Detailed electronic structure analysis reveals the significance of the cation–anion 4p orbitals hybridization in the valence band dispersion of IV–VI semiconductors. This is the first comprehensive report of the electronic structure of a GeSe single crystal using ARPES in conjugation with theoretical band structure analysis. (paper)

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.

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.

Soft X-ray angle-resolved photoemission spectroscopy of heavily boron-doped superconducting diamond films

Directory of Open Access Journals (Sweden)

T. Yokoya, T. Nakamura, T. Matushita, T. Muro, H. Okazaki, M. Arita, K. Shimada, H. Namatame, M. Taniguchi, Y. Takano, M. Nagao, T. Takenouchi, H. Kawarada and T. Oguchi

2006-01-01

Full Text Available We have performed soft X-ray angle-resolved photoemission spectroscopy (SXARPES of microwave plasma-assisted chemical vapor deposition diamond films with different B concentrations in order to study the origin of the metallic behavior of superconducting diamond. SXARPES results clearly show valence band dispersions with a bandwidth of ~23 eV and with a top of the valence band at gamma point in the Brillouin zone, which are consistent with the calculated valence band dispersions of pure diamond. Boron concentration-dependent band dispersions near the Fermi level (EF exhibit a systematic shift of EF, indicating depopulation of electrons due to hole doping. These SXARPES results indicate that diamond bands retain for heavy boron doping and holes in the diamond band are responsible for the metallic states leading to superconductivity at low temperature. A high-resolution photoemission spectroscopy spectrum near EF of a heavily boron-doped diamond superconductor is also presented.

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

Science.gov (United States)

Zhang, Pengfei

2017-11-01

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

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

Micro-Valences: Affective valence in neutral everyday objects

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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.

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)

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.

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.

Levels of valence

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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.

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

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

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

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)

Recovery distances of nestling Bald Eagles banded in Florida and implications for natal dispersal and philopatry

Science.gov (United States)

Wood, Petra Bohall

2009-01-01

I used band recovery data to examine distances between banding and recovery locations for 154 nestling Florida Bald Eagles and discuss the implications for understanding natal dispersal and philopatry in this species. Band recoveries occurred in 23 U.S. states and five Canadian provinces between 1931–2005. Recovery distance from the natal nest averaged longer for the youngest age classes (ANOVA: F  =  3.59; df  =  5, 153; P  =  0.005), for individuals banded in earlier decades (F  =  1.94; df  =  5, 153; P  =  0.093), and for the months of May through October (F  =  3.10; df  =  12, 153;P < 0.001). Of 35 individuals classed as mature (≥3.9 yr old when recovered; range 3.9–36.5 yr), 31 were located within Florida, which suggested a strong degree of philopatry to the natal state. Among 21 mature eagles of known sex with known banding and recovery locations in Florida, females, particularly younger birds, had longer recovery distances (N  =  9, mean  =  93 km, SE  =  22.4) than did males (N  =  12, mean  =  31 km, SE  =  5.3; t  =  2.67, df  =  19, P  =  0.026). The records examined here suggest a high degree of philopatry and relatively short natal dispersal distances, particularly in male Bald Eagles.

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.

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).

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

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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.

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...

Optical characteristics of particles produced using electroerosion dispersion of titanium in hydrogen peroxide

Science.gov (United States)

Pyachin, S. A.; Burkov, A. A.; Makarevich, K. S.; Zaitsev, A. V.; Karpovich, N. F.; Ermakov, M. A.

2016-07-01

Titanium oxide particles are produced using electric-discharge dispersion of titanium in aqueous solution of hydrogen peroxide. Electron vacuum microscopy, X-ray diffraction, and diffuse reflection spectroscopy are used to study the morphology, composition, and optical characteristics of the erosion particles. It has been demonstrated that the particles consist of titanium and titanium oxides with different valences. The edge of the optical absorption is located in the UV spectral range. The band gap is 3.35 eV for indirect transitions and 3.87 eV for direct allowed transitions. The band gap decreases due to the relatively long heating in air at a temperature of 480-550°C, so that powder oxide compositions can be obtained, the optical characteristics of which are similar to optical characteristics of anatase. The erosion products are completely oxidized to rutile after annealing in air at a temperature of 1000°C.

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.

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.

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.

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

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.

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.

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)

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)

Influence of the interface corrugation on the subband dispersions and the optical properties of (113)-oriented GaAs/AlAs superlattices

DEFF Research Database (Denmark)

Langbein, Wolfgang Werner; Lüerssen, D.; Kalt, H.

1996-01-01

We report on the influence of the interface corrugation in (113)-grown GaAs/AlAs superlattices on their band-edge optical properties both in theory and experiment. We calculate the subband dispersions and the optical anisotropies in a multiband k . p formalism. The dominating contribution...... to the optical anisotropies is found to be due to the intrinsic properties of the valence-band structure. The corrugation modifies the density of states only slightly, giving no evidence of a quantum-win behavior. By comparing the calculation with the experimental optical anisotropy, we can estimate...... of the localized type-I states at the band-edge show an enhanced optical anisotropy in comparison to the luminescence of the extended states, revealing the anisotropic nature of their localization sites. In type-II samples, deeply localized, isolated type-I states (Gamma quantum boxes) dominate the luminescence...

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

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.

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.

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

Science.gov (United States)

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

2016-01-01

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

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

Effects of weak nonlinearity on dispersion relations and frequency band-gaps of periodic structures

DEFF Research Database (Denmark)

Sorokin, Vladislav; Thomsen, Jon Juel

2015-01-01

of these for nonlinear problems is impossible or cumbersome, since Floquet theory is applicable for linear systems only. Thus the nonlinear effects for periodic structures are not yet fully uncovered, while at the same time applica-tions may demand effects of nonlinearity on structural response to be accounted for....... The present work deals with analytically predicting dynamic responses for nonlinear continuous elastic periodic structures. Specifically, the effects of weak nonlinearity on the dispersion re-lation and frequency band-gaps of a periodic Bernoulli-Euler beam performing bending os-cillations are analyzed......The analysis of the behaviour of linear periodic structures can be traced back over 300 years, to Sir Isaac Newton, and still attracts much attention. An essential feature of periodic struc-tures is the presence of frequency band-gaps, i.e. frequency ranges in which waves cannot propagate...

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....

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.

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

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.

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)

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

First principles electronic band structure and phonon dispersion curves for zinc blend beryllium chalcogenide

Energy Technology Data Exchange (ETDEWEB)

Dabhi, Shweta, E-mail: venu.mankad@gmail.com; Mankad, Venu, E-mail: venu.mankad@gmail.com; Jha, Prafulla K., E-mail: venu.mankad@gmail.com [Department of Physics, Maharaja Krishnakumasinhji Bhavnagar University, Bhavnagar-364001 (India)

2014-04-24

A detailed theoretical study of structural, electronic and Vibrational properties of BeX compound is presented by performing ab-initio calculations based on density-functional theory using the Espresso package. The calculated value of lattice constant and bulk modulus are compared with the available experimental and other theoretical data and agree reasonably well. BeX (X = S,Se,Te) compounds in the ZB phase are indirect wide band gap semiconductors with an ionic contribution. The phonon dispersion curves are represented which shows that these compounds are dynamically stable in ZB phase.

Easily Dispersible NiFe2O4/RGO Composite for Microwave Absorption Properties in the X-Band

Science.gov (United States)

Bateer, Buhe; Zhang, Jianjao; Zhang, Hongchen; Zhang, Xiaochen; Wang, Chunyan; Qi, Haiqun

2018-01-01

Composites with good dispersion and excellent microwave absorption properties have important applications. Therefore, an easily dispersible NiFe2O4/reduced graphene oxide (RGO) composite has been prepared conveniently through a simple hydrothermal method. Highly crystalline, small size (about 7 nm) monodispersed NiFe2O4 nanoparticles (NPs) are evenly distributed on the surface of RGO. The microwave absorbability revealed that the NiFe2O4/RGO composite exhibits excellent microwave absorption properties in the X-band (8-12 GHz), and the minimum reflection loss of the NiFe2O4/RGO composite is -27.7 dB at 9.2 GHz. The NiFe2O4/RGO composite has good dispersibility in nonpolar solvent, which facilitates the preparation of stable commercial microwave absorbing coatings. It can be a promising candidate for lightweight microwave absorption materials in many application fields.

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.

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.

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

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.

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.

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

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.

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].

The Exciton-Polariton Dispersion Law under the Action of Strong Pumping in the Region of the M-Band of Luminescence

Science.gov (United States)

Khadzhi, P. I.; Nad'kin, L. Yu.; Markov, D. A.

2018-04-01

The double-pulse interaction with excitons and biexcitons in semiconductors is studied theoretically. It is shown that the dispersion law of carrier wave has three branches under the action of a powerful pumping in the region of the M-band of luminescence. Values of parameters at which the dispersion law branches can intersect due to the degeneration of the exciton level energy have been found. The effect of a significant change in the force of coupling between the exciton and photon of a weak pulse with a change in the pumping intensity is predicted.

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.

Orientation dependence of dispersion and band gap of PIMNT single crystals

Science.gov (United States)

He, Chongjun; Chen, Hongbing; Wang, Jiming; Gu, Xiaorong; Wu, Tong; Liu, Youwen

2018-01-01

As piezoelectric materials, optical properties of xPb(In1/2Nb1/2)O3-(1-x-y)Pb(Mg1/3Nb2/3)O3-yPbTiO3 single crystals were not perfectly known. Here refractive indices and optical transmission of 0.25Pb(In1/2Nb1/2)O3-0.42Pb(Mg1/3Nb2/3)O3- 0.33PbTiO3 (PIMNT) single crystal are investigated after poled along different directions. Cauchy dispersion equations of the refractive indices were obtained by least square fitting, which can be used to calculate the refractive indices in the low absorption wavelength range. After poled along [011] direction, the optical transmission of PIMNT single crystal is more than 65% above 0.5 μm, which is much higher than that of [001] and [111] directions. Energy band gap was obtained from absorption coefficient.

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.

Spatial dispersion effects upon local excitation of extrinsic plasmons in a graphene micro-disk

Science.gov (United States)

Mencarelli, D.; Bellucci, S.; Sindona, A.; Pierantoni, L.

2015-11-01

Excitation of surface plasmon waves in extrinsic graphene is studied using a full-wave electromagnetic field solver as analysis engine. Particular emphasis is placed on the role played by spatial dispersion due to the finite size of the two-dimensional material at the micro-scale. A simple instructive set up is considered where the near field of a wire antenna is held at sub-micrometric distance from a disk-shaped graphene patch. The key-input of the simulation is the graphene conductivity tensor at terahertz frequencies, being modeled by the Boltzmann transport equation for the valence and conduction electrons at the Dirac points (where a linear wave-vector dependence of the band energies is assumed). The conductivity equation is worked out in different levels of approximations, based on the relaxation time ansatz with an additional constraint for particle number conservation. Both drift and diffusion currents are shown to significantly contribute to the spatially dispersive anisotropic features of micro-scale graphene. More generally, spatial dispersion effects are predicted to influence not only plasmon propagation free of external sources, but also typical scanning probe microscopy configurations. The paper sets the focus on plasmon excitation phenomena induced by near field probes, being a central issue for the design of optical devices and photonic circuits.

The role of the core in degeneracy of chiral candidate band doubling

International Nuclear Information System (INIS)

Timar, J.; Sohler, D.; Vaman, C.; SUNY, Stony Brook, NY; Starosta, K.; Fossan, D.B.; Koike, T.; Tohoku Univ., Sendai; Lee, I.Y.; Macchiavelli, A.O.

2005-01-01

Complete text of publication follows. Nearly degenerate ΔI=1 rotational bands have been observed recently in several odd-odd nuclei in the A ∼ 130 and A ∼ 100 mass regions. The properties of these doublet bands have been found to agree with the scenario of spontaneous formation of chirality and disagree with other possible scenarios. However, the most recent results obtained from life-time experiments for some chiral candidate nuclei in the A ∼ 130 mass region seem to contradict the chiral interpretation of the doublet bands in these nuclei based on the observed differences in the absolute electromagnetic transition rates; the transition rates expected for chiral doublets are predicted to be very similar. Therefore it is interesting to search for new types of experimental data that may provide further possibilities to distinguish between alternative interpretations, and may uncover new properties of the mechanism that is responsible for the band doubling in these nuclei. Such a new type of experimental data was found by studying the chiral candidate bands in neighboring Rh nuclei. High-spin states of 103 Rh were studied using the 96 Zr( 11 B,4n) reaction at 40 MeV beam energy and chiral partner candidate bands have been found in it. As a result of this observation a special quartet of neighboring chiral candidate nuclei can be investigated for the first time. With this quartet identified a comparison between the behavior of the nearly degenerate doublet bands belonging to the same core but to different valence quasiparticle configurations, as well as belonging to different cores but to the same valence quasiparticle configuration, becomes possible. The comparison shows that the energy separation of these doublet band structures depends mainly on the core properties and only at less extent on the valence quasiparticle coupling. This observation sets up new criteria for the explanations of the band doublings, restricting the possible scenarios and providing

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.

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.

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.

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

Experimental studies of narrow band effects in the actinides

Energy Technology Data Exchange (ETDEWEB)

Brodsky, M.B.

1976-01-01

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

Experimental studies of narrow band effects in the actinides

International Nuclear Information System (INIS)

Brodsky, M.B.

1976-01-01

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

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

Science.gov (United States)

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

2018-02-01

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

Energies of rare-earth ion states relative to host bands in optical materials from electron photoemission spectroscopy

Science.gov (United States)

Thiel, Charles Warren

There are a vast number of applications for rare-earth-activated materials and much of today's cutting-edge optical technology and emerging innovations are enabled by their unique properties. In many of these applications, interactions between the rare-earth ion and the host material's electronic states can enhance or inhibit performance and provide mechanisms for manipulating the optical properties. Continued advances in these technologies require knowledge of the relative energies of rare-earth and crystal band states so that properties of available materials may be fully understood and new materials may be logically developed. Conventional and resonant electron photoemission techniques were used to measure 4f electron and valence band binding energies in important optical materials, including YAG, YAlO3, and LiYF4. The photoemission spectra were theoretically modeled and analyzed to accurately determine relative energies. By combining these energies with ultraviolet spectroscopy, binding energies of excited 4fN-15d and 4fN+1 states were determined. While the 4fN ground-state energies vary considerably between different trivalent ions and lie near or below the top of the valence band in optical materials, the lowest 4f N-15d states have similar energies and are near the bottom of the conduction band. As an example for YAG, the Tb3+ 4f N ground state is in the band gap at 0.7 eV above the valence band while the Lu3+ ground state is 4.7 eV below the valence band maximum; however, the lowest 4fN-15d states are 2.2 eV below the conduction band for both ions. We found that a simple model accurately describes the binding energies of the 4fN, 4fN-1 5d, and 4fN+1 states. The model's success across the entire rare-earth series indicates that measurements on two different ions in a host are sufficient to predict the energies of all rare-earth ions in that host. This information provides new insight into electron transfer transitions, luminescence quenching, and valence

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

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

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

CERN Document Server

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

2003-01-01

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

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

Science.gov (United States)

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

2018-02-01

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

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

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)

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)

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.

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.

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.

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

Science.gov (United States)

Guo, Yuzheng; Robertson, John

2017-09-01

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

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

Science.gov (United States)

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

2018-04-01

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

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

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.

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.

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

The determination of the acoustical phonon dispersion branches of CePd3 by inelastic neutron diffraction

International Nuclear Information System (INIS)

Severing, A.

1985-07-01

The result of this thesis is, that the phonon dispersion of CePd 3 , measured by inelastic neutron scattering, does not show any phonon softening effects due to valence fluctuations as it is observed in the phonon dispersion spectra of TmSe, SmS under pressure and SMsub(.75)Ysub(.25)S in dependence of the temperature. Even at low temperature no softening effects could be detected in comparison to the room temperature data. However we see indications for the existence of intermediate valence induced electron-phonon couplings in the linewidth of the longitudinal acoustic phonon in -direction with reduced wavevector xi=0.2. This phonon seems to be broadened at 135 K. If this broadening is a real intermediate valence effect, this effects manifest themselves much weaker in CePd 3 than in the substances with NaCl-structure. The question whether such couplings realy exist can only be answered by further measurements. (orig.)

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.

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.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-07-01

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

Band offsets in HfTiO/InGaZnO4 heterojunction determined by X-ray photoelectron spectroscopy

International Nuclear Information System (INIS)

He, G.; Chen, X.F.; Lv, J.G.; Fang, Z.B.; Liu, Y.M.; Zhu, K.R.; Sun, Z.Q.; Liu, M.

2015-01-01

Highlights: • Band offsets in HfTiO/InGaZnO 4 heterojunction were determined by XPS. • Valence band offset of HfTiO/IGZO heterojunction is determined to be 0.35 eV. • Conduction band offset of 1.61 eV is deduced for HfTiO/IGZO heterojunction. - Abstract: In current report, X-ray photoelectron spectroscopy has been pursued to obtain the valence band discontinuity (ΔE v ) of sputter deposited HfTiO/InZnGaO 4 (IGZO) heterostructures. A ΔE v value of 0.32 ± 0.1 eV was obtained by using the Ga 2p3/2, Zn 2p3/2, and In 3d5/2 energy levels as references. Taking into consideration the experimental band gaps of 5.35 eV and 3.39 eV for HfTiO and IGZO thin films measured by absorption method, respectively, this would result in a conduction band offset of 1.64 eV in this heterostructure

Valence force fields and the lattice dynamics of beryllium oxide

International Nuclear Information System (INIS)

Ramani, R.; Mani, K.K.; Singh, R.P.

1976-01-01

The lattice dynamics of beryllium oxide have been studied using a rigid-ion model, with short-range forces represented by a valence force field. Various existing calculations on group-IV elements using such a field have been examined as a prelude to transference of force constants from diamond to beryllium oxide. The effects of ionicity on the force constants have been included in the form of scale factors. It is shown that no satisfactory fit to the long-wavelength data on BeO can be found with transferred force constants. However, adequate least-squares fits can be found both with four- and six-parameter valence force fields, the discrepancy with experiment being large only for one optical mode at the Brillouin-zone center. Dispersion curves along Δ and Σ are presented and are in fair agreement with experiment, deviations arising essentially from the quality of the fit to the long-wavelength data. The bond-bending interactions are found to play a significant role and arguments have been presented to show that the inclusion of further angle-angle interactions would yield a very satisfactory picture of the dynamics

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

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.)

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

Science.gov (United States)

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

2015-11-26

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

Analysis of dispersive interactions at polymer/TiAlN interfaces by means of dynamic force spectroscopy.

Science.gov (United States)

Wiesing, M; de Los Arcos, T; Gebhard, M; Devi, A; Grundmeier, G

2017-12-20

The structural and electronic origins of the interactions between polycarbonate and sputter deposited TiAlN were analysed using a combined electron and force spectroscopic approach. Interaction forces were measured by means of dynamic force spectroscopy and the surface polarizability was analysed by X-ray photoelectron valence band spectroscopy. It could be shown that the adhesive interactions between polycarbonate and TiAlN are governed by van der Waals forces. Different surface cleansing and oxidizing treatments were investigated and the effect of the surface chemistry on the force interactions was analysed. Intense surface oxidation resulted in a decreased adhesion force by a factor of two due to the formation of a 2 nm thick Ti 0.21 Al 0.45 O surface oxide layer. The origin of the residual adhesion forces caused by the mixed Ti 0.21 Al 0.45 O surface oxide was clarified by considering the non-retarded Hamaker coefficients as calculated by Lifshitz theory, based on optical data from Reflection Electron Energy Loss Spectroscopy. This disclosed increased dispersion forces of Ti 0.21 Al 0.45 O due to the presence of Ti(iv) ions and related Ti 3d band optical transitions.

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

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.

Band offsets in HfTiO/InGaZnO{sub 4} heterojunction determined by X-ray photoelectron spectroscopy

Energy Technology Data Exchange (ETDEWEB)

He, G., E-mail: ganghe01@issp.ac.cn [School of Physics and Materials Science, Radiation Detection Materials & Devices Lab, Anhui University, Hefei 230601 (China); Chen, X.F. [School of Physics and Materials Science, Radiation Detection Materials & Devices Lab, Anhui University, Hefei 230601 (China); Lv, J.G., E-mail: jglv@hftc.edu.cn [School of Electronic and Information Engineering, Hefei Normal University, Hefei 230601 (China); Fang, Z.B., E-mail: csfzb@usx.edu.cn [Department of Physics, Shaoxing University, Shaoxing 312000 (China); Liu, Y.M.; Zhu, K.R.; Sun, Z.Q. [School of Physics and Materials Science, Radiation Detection Materials & Devices Lab, Anhui University, Hefei 230601 (China); Liu, M., E-mail: mliu@issp.ac.cn [Key Laboratory of Materials Physics, Anhui Key Laboratory of Nanomaterials and Nanostructure, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

2015-09-05

Highlights: • Band offsets in HfTiO/InGaZnO{sub 4} heterojunction were determined by XPS. • Valence band offset of HfTiO/IGZO heterojunction is determined to be 0.35 eV. • Conduction band offset of 1.61 eV is deduced for HfTiO/IGZO heterojunction. - Abstract: In current report, X-ray photoelectron spectroscopy has been pursued to obtain the valence band discontinuity (ΔE{sub v}) of sputter deposited HfTiO/InZnGaO{sub 4} (IGZO) heterostructures. A ΔE{sub v} value of 0.32 ± 0.1 eV was obtained by using the Ga 2p3/2, Zn 2p3/2, and In 3d5/2 energy levels as references. Taking into consideration the experimental band gaps of 5.35 eV and 3.39 eV for HfTiO and IGZO thin films measured by absorption method, respectively, this would result in a conduction band offset of 1.64 eV in this heterostructure.

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

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.

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.

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

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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.

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

Directory of Open Access Journals (Sweden)

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

2013-01-01

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

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

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...

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

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.

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.

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.

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.

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

Band model for d- and f-metals

International Nuclear Information System (INIS)

Koelling, D.D.

1982-01-01

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

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.

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.

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

Science.gov (United States)

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

2013-11-01

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

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

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.

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

Ultraviolet photoelectron spectroscopy reveals energy-band dispersion for π-stacked 7,8,15,16-tetraazaterrylene thin films in a donor–acceptor bulk heterojunction

Science.gov (United States)

Aghdassi, Nabi; Wang, Qi; Ji, Ru-Ru; Wang, Bin; Fan, Jian; Duhm, Steffen

2018-05-01

7,8,15,16-tetraazaterrylene (TAT) thin films grown on highly oriented pyrolytic graphite (HOPG) substrates were studied extensively with regard to their intrinsic and interfacial electronic properties by means of ultraviolet photoelectron spectroscopy (UPS). Merely weak substrate–adsorbate interaction occurs at the TAT/HOPG interface, with interface energetics being only little affected by the nominal film thickness. Photon energy-dependent UPS performed perpendicular to the molecular planes of TAT multilayer films at room temperature clearly reveals band-like intermolecular dispersion of the TAT highest occupied molecular orbital (HOMO) energy. Based on a comparison with a tight-binding model, a relatively narrow bandwidth of 54 meV is derived, which points to the presence of an intermediate regime between hopping and band-like hole transport. Upon additional deposition of 2,2‧:5‧,2″:5″,2″‧-quaterthiophene (4T), a 4T:TAT donor–acceptor bulk heterojunction with a considerable HOMO-level offset at the donor–acceptor interface is formed. The 4T:TAT bulk heterojunction likewise exhibits intermolecular dispersion of the TAT HOMO energy, yet with a significant decreased bandwidth.

[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

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)

Synchro-Betatron Stop-Bands Due to a Single Crab Cavity

Energy Technology Data Exchange (ETDEWEB)

Chao, A

2004-06-17

We analyze the stop-band due to crab cavities for horizontal tunes that are either close to integers or close to half integers. The latter case is relevant for today's electron/positron colliders. We compare this stop-band to that created by dispersion in an accelerating cavity and show that a single typical crab cavity creates larger stop-bands than a typical dispersion at an accelerating cavity. We furthermore analyze whether it is beneficial to place the crab cavity at a position where the dispersion and its slope vanish. We find that this choice is worth while if the horizontal tune is close to a half integer, but not if it is close to an integer. Furthermore we find that stop-bands can be avoided when the horizontal tune is located at a favorable side of the integer or the half integer. While we are here concerned with the installation of a single crab cavity in a storage ring, we show that the stop-bands can be weakened, although not eliminated, significantly when two crab cavities per ring are chosen suitably.

New Kronig-Penney Equation Emphasizing the Band Edge Conditions

Science.gov (United States)

Szmulowicz, Frank

2008-01-01

The Kronig-Penney problem is a textbook example for discussing band dispersions and band gap formation in periodic layered media. For example, in photonic crystals, the behaviour of bands next to the band edges is important for further discussions of such effects as inhibited light emission, slow light and negative index of refraction. However,…

In-clustering induced anomalousbehavior of band gap in InAlN and InGaN

DEFF Research Database (Denmark)

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

2010-01-01

Electronic band structure calculations of In containing ternary nitride alloys are presented showing a strong modification of the band gap, EG and its pressure coefficient, dEG/dp, as a function of In-content. Two different arrangements of In atoms are considered: uniform and clustered. It is shown...... that Indium clustering is the additional, large factor leading to the unusual bowings of the band gaps and their pressure coefficients. The theoretical results are compared with experimental data on variations of EG with In content. In the analysis of observed phenomena we point out the particular role...... of the uppermost valence band....

Theoretical Magnon Dispersion Curves for Gd

DEFF Research Database (Denmark)

Lindgård, Per-Anker; Harmon, B. N.; Freeman, A. J.

1975-01-01

The magnon dispersion curve of Gd metal has been determined from first principles by use of augmented-plane-wave energy bands and wave functions. The exchange matrix elements I(k⃗, k⃗′) between the 4f electrons and the conduction electrons from the first six energy bands were calculated under...

Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations

Science.gov (United States)

Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Myronchuk, G. L.; Khvyshchun, M.; Fedorchuk, A. O.; Parasyuk, O. V.; Khyzhun, O. Y.

2015-04-01

High-quality single crystal of cesium mercury tetraiodide, Cs2HgI4, has been synthesized by the vertical Bridgman-Stockbarger method and its crystal structure has been refined. In addition, electronic structure and optical properties of Cs2HgI4 have been studied. For the crystal under study, X-ray photoelectron core-level and valence-band spectra for pristine and Ar+-ion irradiated surfaces have been measured. The present X-ray photoelectron spectroscopy (XPS) results indicate that the Cs2HgI4 single crystal surface is very sensitive with respect to Ar+ ion-irradiation. In particular, Ar+ bombardment of the single crystal surface alters the elemental stoichiometry of the Cs2HgI4 surface. To elucidate peculiarities of the energy distribution of the electronic states within the valence-band and conduction-band regions of the Cs2HgI4 compound, we have performed first-principles band-structure calculations based on density functional theory (DFT) as incorporated in the WIEN2k package. Total and partial densities of states for Cs2HgI4 have been calculated. The DFT calculations reveal that the I p states make the major contributions in the upper portion of the valence band, while the Hg d, Cs p and I s states are the dominant contributors in its lower portion. Temperature dependence of the light absorption coefficient and specific electrical conductivity has been explored for Cs2HgI4 in the temperature range of 77-300 K. Main optical characteristics of the Cs2HgI4 compound have been elucidated by the first-principles calculations.

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.

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.

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.

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.

Ab initio electronic band structure study of III-VI layered semiconductors

Science.gov (United States)

Olguín, Daniel; Rubio-Ponce, Alberto; Cantarero, Andrés

2013-08-01

We present a total energy study of the electronic properties of the rhombohedral γ-InSe, hexagonal ɛ-GaSe, and monoclinic GaTe layered compounds. The calculations have been done using the full potential linear augmented plane wave method, including spin-orbit interaction. The calculated valence bands of the three compounds compare well with angle resolved photoemission measurements and a discussion of the small discrepancies found has been given. The present calculations are also compared with recent and previous band structure calculations available in the literature for the three compounds. Finally, in order to improve the calculated band gap value we have used the recently proposed modified Becke-Johnson correction for the exchange-correlation potential.

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

International Nuclear Information System (INIS)

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

2006-01-01

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

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.

Analysis of photonic band gap in dispersive properties of tunable three-dimensional photonic crystals doped by magnetized plasma

International Nuclear Information System (INIS)

Zhang HaiFeng; Liu Shaobin; Yang Huan; Kong Xiangkun

2013-01-01

In this paper, the magnetooptical effects in dispersive properties for two types of three-dimensional magnetized plasma photonic crystals (MPPCs) containing homogeneous dielectric and magnetized plasma with diamond lattices are theoretically investigated for electromagnetic (EM) wave based on plane wave expansion (PWE) method, as incidence EM wave vector is parallel to the external magnetic field. The equations for two types of MPPCs with diamond lattices (dielectric spheres immersed in magnetized plasma background or vice versa) are theoretically deduced. The influences of dielectric constant, plasma collision frequency, filling factor, the external magnetic field, and plasma frequency on the dispersive properties for both types of structures are studied in detail, respectively, and some corresponding physical explanations are also given. From the numerical results, it has been shown that the photonic band gaps (PBGs) for both types of MPPCs can be manipulated by plasma frequency, filling factor, the external magnetic field, and the relative dielectric constant of dielectric, respectively. Especially, the external magnetic field can enlarge the PBG for type-2 structure (plasma spheres immersed in dielectric background). However, the plasma collision frequency has no effect on the dispersive properties of two types of three-dimensional MPPCs. The locations of flatbands regions for both types of structures cannot be tuned by any parameters except for plasma frequency and the external magnetic field. The analytical results may be informative and of technical use to design the MPPCs devices.

Moessbauer spectroscopic study on valence-detrapping and trapping of mixed-valence trinuclear iron (III, III, II) fluorine-substitute benzoate complexes

International Nuclear Information System (INIS)

Sakai, Y.; Onaka, S.; Ogiso, R.; Takayama, T.; Takahashi, M.; Nakamoto, T.

2012-01-01

Four mixed-valence trinuclear iron(III, III, II) fluorine-substituted benzoate complexes were synthesized; Fe 3 O(C 6 F 5 COO) 6 (C 5 H 5 N) 3 ·CH 2 Cl 2 (1), Fe 3 O(C 6 F 5 COO) 6 (C 5 H 5 N) 3 (2), Fe 3 O(2H-C 6 F 4 COO) 6 (C 5 H 5 N) 3 (3), and Fe 3 O(4H-C 6 F 4 COO) 6 (C 5 H 5 N) 3 (4). By means of 57 Fe-Moessbauer spectroscopy, valence-detrapping and trapping phenomena have been investigated for the four mixed-valence complexes. The valence state of three iron ions is trapped at lower temperatures while it is fully detrapped at higher temperatures for 1. Valence detrapping is not observed for 2, 3, and 4 even at room temperature, although Moessbauer spectra for 3 and 4 show a complicated temperature dependence. (author)

Promoting SnTe as an Eco-Friendly Solution for p-PbTe Thermoelectric via Band Convergence and Interstitial Defects.

Science.gov (United States)

Li, Wen; Zheng, Linglang; Ge, Binghui; Lin, Siqi; Zhang, Xinyue; Chen, Zhiwei; Chang, Yunjie; Pei, Yanzhong

2017-05-01

Compared to commercially available p-type PbTe thermoelectrics, SnTe has a much bigger band offset between its two valence bands and a much higher lattice thermal conductivity, both of which limit its peak thermoelectric figure of merit, zT of only 0.4. Converging its valence bands or introducing resonant states is found to enhance the electronic properties, while nanostructuring or more recently introducing interstitial defects is found to reduce the lattice thermal conductivity. Even with an integration of some of the strategies above, existing efforts do not enable a peak zT exceeding 1.4 and usually involve Cd or Hg. In this work, a combination of band convergence and interstitial defects, each of which enables a ≈150% increase in the peak zT, successfully accumulates the zT enhancements to be ≈300% (zT up to 1.6) without involving any toxic elements. This opens new possibilities for further improvements and promotes SnTe as an environment-friendly solution for conventional p-PbTe thermoelectrics. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Band offsets of novel CoTiO{sub 3}/Ag{sub 3}VO{sub 4} heterojunction measured by X-ray photoelectron spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Wangkawong, Kanlayawat [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Tantraviwat, Doldet [Thai Microelectronics Center (TMEC), National Electronics and Computer Technology Center (NECTEC), Chachoengsao 24000 (Thailand); Phanichphant, Sukon [Materials Science Research Centre, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Inceesungvorn, Burapat, E-mail: binceesungvorn@gmail.com [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand)

2015-01-01

Highlights: • Band lineup of novel CoTiO{sub 3}/Ag{sub 3}VO{sub 4} composite is determined by semidirect XPS method. • The composite forms a type-II staggered heterojunction. • Valence and conduction-band offsets are 0.2 ± 0.3 and −0.6 ± 0.3 eV, respectively. • Band lineup determination is needed for understanding charge transfer at interfaces. - Abstract: The energy band diagram and band offsets of the novel CoTiO{sub 3}/Ag{sub 3}VO{sub 4} heterojunction photocatalyst are investigated by X-ray photoelectron spectroscopy for the first time. Excluding the strain effect, the valence-band and conduction-band offsets are determined to be 0.2 ± 0.3 eV and −0.6 ± 0.3 eV, respectively. The CoTiO{sub 3}/Ag{sub 3}VO{sub 4} composite forms a type-II heterojunction, for which the photogenerated charge carriers could be effectively separated. The results suggest that determination of the energy band structure is crucial for understanding the photogenerated charge transfer mechanism at the interfaces, hence the corresponding photocatalytic activity and would also be beneficial to the design of new and efficient heterostructure-based photocatalysts.

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 $6k$.

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 $6k$.

Band offsets of non-polar A-plane GaN/AlN and AlN/GaN heterostructures measured by X-ray photoemission spectroscopy.

Science.gov (United States)

Sang, Ling; Zhu, Qin Sheng; Yang, Shao Yan; Liu, Gui Peng; Li, Hui Jie; Wei, Hong Yuan; Jiao, Chun Mei; Liu, Shu Man; Wang, Zhan Guo; Zhou, Xiao Wei; Mao, Wei; Hao, Yue; Shen, Bo

2014-01-01

The band offsets of non-polar A-plane GaN/AlN and AlN/GaN heterojunctions are measured by X-ray photoemission spectroscopy. A large forward-backward asymmetry is observed in the non-polar GaN/AlN and AlN/GaN heterojunctions. The valence-band offsets in the non-polar A-plane GaN/AlN and AlN/GaN heterojunctions are determined to be 1.33 ± 0.16 and 0.73 ± 0.16 eV, respectively. The large valence-band offset difference of 0.6 eV between the non-polar GaN/AlN and AlN/GaN heterojunctions is considered to be due to piezoelectric strain effect in the non-polar heterojunction overlayers.

Temperature-induced band shift in bulk γ-InSe by angle-resolved photoemission spectroscopy

Science.gov (United States)

Xu, Huanfeng; Wang, Wei; Zhao, Yafei; Zhang, Xiaoqian; Feng, Yue; Tu, Jian; Gu, Chenyi; Sun, Yizhe; Liu, Chang; Nie, Yuefeng; Edmond Turcu, Ion C.; Xu, Yongbing; He, Liang

2018-05-01

Indium selenide (InSe) has recently become popular research topics because of its unique layered crystal structure, direct band gap and high electron mobilities. In this work, we have acquired the electronic structure of bulk γ-InSe at various temperatures using angle-resolved photoemission spectroscopy (ARPES). We have also found that as the temperature decreases, the valence bands of γ-InSe exhibit a monotonic shift to lower binding energies. This band shift is attributed to the change of lattice parameters and has been validated by variable temperature X-ray diffraction measurements and theoretical calculations.

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

International Nuclear Information System (INIS)

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

2013-01-01

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

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.

Band Alignment at GaN/Single-Layer WSe2 Interface

KAUST Repository

Tangi, Malleswararao

2017-02-21

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

Band Alignment at GaN/Single-Layer WSe2 Interface

KAUST Repository

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

2017-01-01

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

Prediction of the High Thermoelectric Performance of Pnictogen Dichalcogenide Layered Compounds with Quasi-One-Dimensional Gapped Dirac-like Band Dispersion

Science.gov (United States)

Ochi, Masayuki; Usui, Hidetomo; Kuroki, Kazuhiko

2017-12-01

Thermoelectric power generation has been recognized as one of the most important technologies, and high-performance thermoelectric materials have long been pursued. However, because of the large number of candidate materials, this quest is extremely challenging, and it has become clear that a firm theoretical concept from the viewpoint of band-structure engineering is needed. We theoretically demonstrate that pnictogen dichalcogenide layered compounds, which originally attracted attention as a family of superconductors and have recently been investigated as thermoelectric materials, can exhibit very high thermoelectric performance with elemental substitution. Specifically, we clarify a promising guiding principle for material design and find that LaOAsSe2, a material that has yet to be synthesized, has a power factor that is 6 times as large as that of the known compound LaOBiS2 and can exhibit a very large Z T under some plausible assumptions. This large enhancement of the thermoelectric performance originates from the quasi-one-dimensional gapped Dirac-like band dispersion, which is realized by the square-lattice network. We offer one ideal limit of the band structure for thermoelectric materials. Because our target materials have high controllability of constituent elements and feasibility of carrier doping, experimental studies along this line are eagerly awaited.

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.

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}.

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.

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

Science.gov (United States)

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

2017-12-01

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

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.

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)

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.

Plasmon band gap generated by intense ion acoustic waves

International Nuclear Information System (INIS)

Son, S.; Ku, S.

2010-01-01

In the presence of an intense ion acoustic wave, the energy-momentum dispersion relation of plasmons is strongly modified to exhibit a band gap structure. The intensity of an ion acoustic wave might be measured from the band gap width. The plasmon band gap can be used to block the nonlinear cascading channel of the Langmuir wave decay.

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.

Theoretical and experimental studies of the ZnSe/CuInSe2 heterojunction band offset

International Nuclear Information System (INIS)

Nelson, A.J.; Schwerdtfeger, C.R.; Wei, S.; Zunger, A.; Rioux, D.; Patel, R.; Hoechst, H.

1993-01-01

We report first-principles band structure calculations that show that ZnSe/CuInSe 2 has a significant valence band offset (VBO, ΔE v ): 0.70±0.05 eV for the relaxed interface and 0.60±0.05 eV for the coherent interface. These large values demonstrate the failure of the common anion rule. This is traced to a stronger Cu,d-Se,p level repulsion in CuInSe 2 than the Zn,d-Se,p repulsion in ZnSe. The VBO was then studied by synchrotron radiation soft x-ray photoemission spectroscopy. ZnSe overlayers were sequentially grown in steps on n-type CuInSe 2 (112) 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 In 4d and Zn 3d core lines. Results of these measurements reveal that the VBO is ΔE v =0.70±0.15 eV, in good agreement with the first-principles prediction

Magnetoluminescence characterization of lattice matched n-type InGaAs/InAlAs MQW`s on InP

Energy Technology Data Exchange (ETDEWEB)

Jones, E.D.; Tigges, C.P. [Sandia National Labs., Albuquerque, NM (United States); Kotera, N. [Kyushu Inst. of Tech., Iizuka, Fukuoka (Japan); Mishima, T.; Nakamura, H. [Hitachi Ltd., Kokubunji, Tokyo (Japan). Central Research Lab.; Miura, N. [Univ. of Tokyo (Japan). Inst. for Solid State Physics

1996-12-31

A knowledge of the energy-band energies and masses are important parameters for the design of semiconductor lasers and light-emitting diodes. The authors present results of a magnetoluminescence study on n-type (N{sub 2D} {approximately} 1 {times} 10{sup 12} cm{sup {minus}2}) InGaAs/InAlAs multiple quantum wells lattice matched to InP. From an analysis of low-temperature magnetoluminescence data, a simultaneous measurement of the inplane conduction and valence-band masses is made. They find, assuming parabolic bands, that the conduction and valence-band masses are respectively m{sub c} {approx} 0.069m{sub 0} and m{sub v} {approx} 0.061m{sub 0}, where m{sub 0} is the free electron mass. Fitting a nonparabolic conduction-band dispersion curve to the data yields a zone-center mass m{sub c} {approx} 0.056m{sub 0} and m{sub v} {approximately} 0.102m{sub 0}.

Quantum conductance of zigzag graphene oxide nanoribbons

International Nuclear Information System (INIS)

Kan, Zhe; Nelson, Christopher; Khatun, Mahfuza

2014-01-01

The electronic properties of zigzag graphene oxide nanoribbons (ZGOR) are presented. The results show interesting behaviors which are considerably different from the properties of the perfect graphene nanoribbons (GNRs). The theoretical methods include a Huckel-tight binding approach, a Green's function methodology, and the Landauer formalism. The presence of oxygen on the edge results in band bending, a noticeable change in density of states and thus the conductance. Consequently, the occupation in the valence bands increase for the next neighboring carbon atom in the unit cell. Conductance drops in both the conduction and valence band regions are due to the reduction of allowed k modes resulting from band bending. The asymmetry of the energy band structure of the ZGOR is due to the energy differences of the atoms. The inclusion of a foreign atom's orbital energies changes the dispersion relation of the eigenvalues in energy space. These novel characteristics are important and valuable in the study of quantum transport of GNRs

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

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

Band structure engineering and vacancy induced metallicity at the GaAs-AlAs interface

KAUST Repository

Upadhyay Kahaly, M.

2011-09-20

We study the epitaxial GaAs-AlAs interface of wide gap materials by full-potential density functional theory. AlAsthin films on a GaAs substrate and GaAsthin films on an AlAs substrate show different trends for the electronic band gap with increasing film thickness. In both cases, we find an insulating state at the interface and a negligible charge transfer even after relaxation. Differences in the valence and conduction band edges suggest that the energy band discontinuities depend on the growth sequence. Introduction of As vacancies near the interface induces metallicity, which opens great potential for GaAs-AlAs heterostructures in modern electronics.

Electronic structure and photocatalytic activities of (Bi{sub 2−δ}Y{sub δ})Sn{sub 2}O{sub 7} solid solution

Energy Technology Data Exchange (ETDEWEB)

Fan, Wenjie; Hu, Jinli; Huang, Jing; Wu, Xin; Lin, Sen, E-mail: slin@fzu.edu.cn; Huang, Caijin; Qiu, Xiaoqing, E-mail: qiuxq@fzu.edu.cn

2015-12-01

Highlights: • (Bi{sub 2−δ}Y{sub δ})Sn2O7 solid solutions were synthesized by one-step hydrothermal method. • The contribution of Bi 6s orbitals to electronic structures can be continuously tuned. • The high photocatalytic activity should originate from the good band dispersions. - Abstract: A series of (Bi{sub 2−δ}Y{sub δ})Sn{sub 2}O{sub 7} solid solutions were prepared by a one-step hydrothermal method to investigate the correlation between the electronic structures and photocatalytic activity. All the (Bi{sub 2−δ}Y{sub δ})Sn{sub 2}O{sub 7} samples were characterized by X-ray diffraction, transmission electron microscopy, infrared and UV–vis absorption spectroscopy, and the Brunauer–Emmett–Teller technique. The effects of Bi 6s orbitals in (Bi{sub 2−δ}Y{sub δ})Sn{sub 2}O{sub 7} solid solutions on the electronic structures and photogradation of colorless 2-naphthol solution were investigated experimentally and theoretically. It is found that the introduction of Y{sup 3+} induces the shrinkage of the lattice of (Bi{sub 2−δ}Y{sub δ})Sn{sub 2}O{sub 7} solid solutions. Consequently, the contribution of Bi 6s orbitals to electronic structures of (Bi{sub 2−δ}Y{sub δ})Sn{sub 2}O{sub 7} solid solutions can be continuously tuned by Y{sup 3+} substitution for Bi{sup 3+}. Density function theory calculations reveal that the Bi 6s and O 2p states dominate the top of valence band of Bi{sub 2}Sn{sub 2}O{sub 7}, while the bottom of conduction band mainly consists of the states of Sn 5s, O 2p and Bi 6p. Once the Bi{sup 3+} ions are substituted by Y{sup 3+}, the intensity of Bi 6s states is weakening at the top of valence band while the bottom of conduction band retains the same feature observed for pure Bi{sub 2}Sn{sub 2}O{sub 7}. Moreover, the band dispersions of valence band and conduction band become narrower after Y{sup 3+} introduction into the lattice of (Bi{sub 2−δ}Y{sub δ})Sn{sub 2}O{sub 7} solid solutions. As a result, the

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

Science.gov (United States)

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

2018-04-01

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

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....

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.

Importance-truncated shell model for multi-shell valence spaces

Energy Technology Data Exchange (ETDEWEB)

Stumpf, Christina; Vobig, Klaus; Roth, Robert [Institut fuer Kernphysik, TU Darmstadt (Germany)

2016-07-01

The valence-space shell model is one of the work horses in nuclear structure theory. In traditional applications, shell-model calculations are carried out using effective interactions constructed in a phenomenological framework for rather small valence spaces, typically spanned by one major shell. We improve on this traditional approach addressing two main aspects. First, we use new effective interactions derived in an ab initio approach and, thus, establish a connection to the underlying nuclear interaction providing access to single- and multi-shell valence spaces. Second, we extend the shell model to larger valence spaces by applying an importance-truncation scheme based on a perturbative importance measure. In this way, we reduce the model space to the relevant basis states for the description of a few target eigenstates and solve the eigenvalue problem in this physics-driven truncated model space. In particular multi-shell valence spaces are not tractable otherwise. We combine the importance-truncated shell model with refined extrapolation schemes to approximately recover the exact result. We present first results obtained in the importance-truncated shell model with the newly derived ab initio effective interactions for multi-shell valence spaces, e.g., the sdpf shell.

Banded ion morphology - main and recovery storm phases

International Nuclear Information System (INIS)

Frahm, R.A.; Reiff, P.H.; Winningham, J.D.; Burch, J.L.

1986-01-01

The occurrence of bands in ion spectra obtained with the high-altitude and low-altitude plasma instruments on DE-1 and DE-2, respectively, during main and recovery storm phases from the period September 1981 - January 1982 is analyzed statistically. Typical spectra are shown; diagrams and graphs of storm morphology are provided; and two theoretical models (one based on time-of-flight effects and another based on convective dispersion) are discussed. It is found that bands occur more often in the main phase than in the recovery phase, and more often and at higher latitudes in the evening than before noon. From the stability of the bands and the dependence of energy on latitude it is inferred that convective dispersion plays a more important role than time-of-flight effects in the motion of heavy ions in the magnetosphere. 14 references

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

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.

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.)

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

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

Vagrant western red-shouldered hawks: origins, natal dispersal patterns, and survival

Science.gov (United States)

Bloom, Peter H.; Scott, J. Michael; Papp, Joseph M.; Thomas, Scott E.; Kidd, Jeff W.

2011-01-01

We report the results of a 40-year study of the western Red-shouldered Hawk (Buteo lineatus elegans) involving the banding of 2742 nestlings in southern California from 1970 to 2009 (this study) plus 127 nestlings banded in other California studies (1956–2008) and the analyses of 119 records of subsequent recovery from the Bird Banding Laboratory (1957–2009). Of the Red-shouldered Hawks recovered, 109 (91.6%) moved 100 km (long-distance dispersers). Three (2.5%), all long-distance dispersers, were vagrants (recovered outside the species' range of residency), and were found 374 to 843 km northeast and south of their banding locations in the Mojave, Great Basin, and Vizcaino deserts. The distribution of directions of short-distance dispersal was bipolar, closely corresponding with the northwest—southeast orientation of the species' range in southern California, while that of long-distance dispersers was mainly to the north. One of 10 long-distance dispersers, a nonvagrant, survived well into the age of breeding (103.0 months), whereas eight of the other nine perished before 14.5 months. The implications of vagrancy for conservation of this resident subspecies are that a relatively small source area can contribute genetic material over a vastly larger receiving area but rarely does so because of high mortality rates. Nonetheless, the movements of vagrants we documented provide evidence for the species' potential to populate new landscapes in response to changing environmental conditions and to maintain genetic heterogeneity within existing populations.

Band formation in xenon-argon alloys studied by photoelectron spectroscopy

International Nuclear Information System (INIS)

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

1977-01-01

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

Symmetry Breaking in Photonic Crystals: On-Demand Dispersion from Flatband to Dirac Cones.

Science.gov (United States)

Nguyen, H S; Dubois, F; Deschamps, T; Cueff, S; Pardon, A; Leclercq, J-L; Seassal, C; Letartre, X; Viktorovitch, P

2018-02-09

We demonstrate that symmetry breaking opens a new degree of freedom to tailor energy-momentum dispersion in photonic crystals. Using a general theoretical framework in two illustrative practical structures, we show that breaking symmetry enables an on-demand tuning of the local density of states of the same photonic band from zero (Dirac cone dispersion) to infinity (flatband dispersion), as well as any constant density over an adjustable spectral range. As a proof of concept, we demonstrate experimentally the transformation of the very same photonic band from a conventional quadratic shape to a Dirac dispersion, a flatband dispersion, and a multivalley one. This transition is achieved by finely tuning the vertical symmetry breaking of the photonic structures. Our results provide an unprecedented degree of freedom for optical dispersion engineering in planar integrated photonic devices.

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

International Nuclear Information System (INIS)

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

2008-01-01

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

Characterization and control of the electro-optic phase dispersion in lithium niobate modulators for wide spectral band interferometry applications in the mid-infrared.

Science.gov (United States)

Heidmann, S; Ulliac, G; Courjal, N; Martin, G

2017-05-10

Mid-infrared wideband modulation (3.2-3.7 μm) is achieved in an electro-optic Y-junction using lithium niobate waveguides in TE polarized light. Comparison between external (scanning mirror) and internal (electro-optical) modulation allows studying the chromatic polynomial dependence of the relative phase. Internal modulation consists on a V AC ramp up to 370 V at 0.25 Hz, applied over 14 mm long electrodes with 14 μm separation. The overall V π L π obtained is 17.5 V·cm, meaning that using a 300 V generator we can actively scan and track the whole L-band (3.4-4.1 μm) wideband fringes. We observe a dramatic reduction of the coherence length under electro-optic modulation, which is attributed to a strong nonlinear dependence of the electro-optic effect on the wavelength upon application of such high voltages. We study the effect of applying a V DC offset, from -50  V to 200 V (50 V step). We characterize this dispersion and propose an improved dispersion model that is used to show active dispersion compensation in wideband fringe modulation in the mid-infrared. This can be useful for long baseline interferometry or pulse compression applications when light propagates along fibers, in order to compensate for chromatic effects that induce differential dispersion or pulse spreading, respectively.

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.

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.

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

Science.gov (United States)

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

2013-08-19

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

Defect induced structural inhomogeneity, ultraviolet light emission and near-band-edge photoluminescence broadening in degenerate In2O3 nanowires

Science.gov (United States)

Mukherjee, Souvik; Sarkar, Ketaki; Wiederrecht, Gary P.; Schaller, Richard D.; Gosztola, David J.; Stroscio, Michael A.; Dutta, Mitra

2018-04-01

We demonstrate here defect induced changes on the morphology and surface properties of indium oxide (In2O3) nanowires and further study their effects on the near-band-edge (NBE) emission, thereby showing the significant influence of surface states on In2O3 nanostructure based device characteristics for potential optoelectronic applications. In2O3 nanowires with cubic crystal structure (c-In2O3) were synthesized via carbothermal reduction technique using a gold-catalyst-assisted vapor-liquid-solid method. Onset of strong optical absorption could be observed at energies greater than 3.5 eV consistent with highly n-type characteristics due to unintentional doping from oxygen vacancy ({V}{{O}}) defects as confirmed using Raman spectroscopy. A combination of high resolution transmission electron microscopy, x-ray photoelectron spectroscopy and valence band analysis on the nanowire morphology and stoichiometry reveals presence of high-density of {V}{{O}} defects on the surface of the nanowires. As a result, chemisorbed oxygen species can be observed leading to upward band bending at the surface which corresponds to a smaller valence band offset of 2.15 eV. Temperature dependent photoluminescence (PL) spectroscopy was used to study the nature of the defect states and the influence of the surface states on the electronic band structure and NBE emission has been discussed. Our data reveals significant broadening of the NBE PL peak consistent with impurity band broadening leading to band-tailing effect from heavy doping.

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

Science.gov (United States)

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

2015-07-30

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

Photoemission study of K on graphite

NARCIS (Netherlands)

Bennich, P.; Puglia, C.; Brühwiler, P.A.; Nilsson, A.; Sandell, A.; Mårtensson, N.; Rudolf, P.

1999-01-01

The physical and electronic structure of the dispersed and (2×2) phases of K/graphite have been characterized by valence and core-level photoemission. Charge transfer from K to graphite is found to occur at all coverages, and includes transfer of charge to the second graphite layer. A rigid band

Design and evaluation of noise suppression sheet for GHz band utilizing magneto-elastic effect

Science.gov (United States)

Igarashi, Toshiyuki; Kondo, Koichi; Yoshida, Shigeyoshi

2017-12-01

Feasibility of realizing a noise suppression sheet (NSS) coping with the low SHF band such as the 5 GHz band was investigated, which was composed of soft magnetic metal flakes dispersed in a polymer. For suppressing noises, the higher frequency one of the bimodal frequency dispersion (lower frequency one: Dispersion DII, higher frequency one: Dispersion DIII) seen in the imaginary permeability (μ″; magnetic loss component) spectrum of the NSS was aimed to utilize. Referring to the previous finding that Dispersion DIII is originated from a magneto-elastic effect, several magnetic composite sheets were prepared using various alloy flakes with different saturation magnetostriction (λs), and their frequency (fr(DIII)) and magnitude (μ″(DIII)) of Dispersion DIII were investigated. It was found that the NSS containing flakes with higher λs exhibited higher fr(DIII) and higher μ″(DIII)/μ″(DII), which was ratio of μ″(DIII) to the magnitude of Dispersion DII (μ″(DII)). The fr(DIII) for the NSS having the highest λs containing Fe-Co alloy flake reached 7.45 GHz and μ″ in the 5 GHz band was approximately twice as high as the conventional NSS containing Fe-Si-Al alloy flake. For transmission attenuation power ratio (Rtp) when an NSS was placed on a microstrip line with characteristic impedance of 50 Ω, NSS with larger fr(DIII)2 · μ″(DIII) ∝ Ms2 (Ms: saturation magnetization), which theoretically gave the frequency limit of imaginary permeability for a thin film, exhibited larger Rtp in the low SHF band. These results suggested that an NSS containing a magnetic flake material with both large λs and Ms was suitable for suppressing low SHF band noises.

Virtual Distance and Soundstage, and their Impacts on Experienced Emotional Valence

DEFF Research Database (Denmark)

Christensen, Justin

2015-01-01

stimuli should cause stronger valenced responses in the nearfield than at a distance. Thus, music experienced as being negatively valenced at a distance should be more negatively valenced in nearfield, and music that is experienced as having a positive valence at a distance should be more positively......Research from animal ethology and affective neuroscience suggest that a listener’s perceived distance from a signal source can alter their experienced emotional valence of the music. Furthermore, appraisal theories of emotion suggest that emotionally valenced responses will diverge according...... to the type of emotion presented. For these exploratory investigations, subjects listen to selected musical excerpts on speakers in combination with a tactile transducer attached to their chair. The listening sessions are recorded on EEG supported by subject feedback responses. My hypothesis is that musical...

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)

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.

Impurity band Mott insulators: a new route to high Tc superconductivity

Directory of Open Access Journals (Sweden)

Ganapathy Baskaran

2008-01-01

Full Text Available Last century witnessed the birth of semiconductor electronics and nanotechnology. The physics behind these revolutionary developments is certain quantum mechanical behaviour of 'impurity state electrons' in crystalline 'band insulators', such as Si, Ge, GaAs and GaN, arising from intentionally added (doped impurities. The present article proposes that certain collective quantum behaviour of these impurity state electrons, arising from Coulomb repulsions, could lead to superconductivity in a parent band insulator, in a way not suspected before. Impurity band resonating valence bond theory of superconductivity in boron doped diamond, recently proposed by us, suggests possibility of superconductivity emerging from impurity band Mott insulators. We use certain key ideas and insights from the field of high-temperature superconductivity in cuprates and organics. Our suggestion also offers new possibilities in the field of semiconductor electronics and nanotechnology. The current level of sophistication in solid state technology and combinatorial materials science is very well capable of realizing our proposal and discover new superconductors.

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.

Terahertz spectroscopy of three-dimensional photonic band-gap crystals

International Nuclear Information System (INIS)

Oezbay, E.; Michel, E.; Tuttle, G.; Biswas, R.; Ho, K.M.; Bostak, J.; Bloom, D.M.

1994-01-01

We have fabricated and built three-dimensional photonic band-gap crystals with band-gap frequencies larger than 500 GHz. We built the crystals by stacking micromachined (110) silicon wafers. The transmission and dispersion characteristics of the structures were measured by an all-electronic terahertz spectroscopy setup. The experimental results were in good agreement with theoretical calculations. To our knowledge, our new crystal has the highest reported photonic band-gap frequency

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

International Nuclear Information System (INIS)

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

2007-01-01

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

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

Effect of electronic correlations on the quasiparticle dispersion of USb2

International Nuclear Information System (INIS)

Yang Xiaodong; Riseborough, Peter S; Durakiewicz, Tomasz; Oppeneer, P M; Elgazzar, S

2010-01-01

Angle resolved photoemission experiments have been performed on USb 2 , and very narrow quasiparticle peaks have been observed in a band which LSDA predicts to osculate the Fermi-energy. The observed band is found to be depressed by 17 meV below the Fermi-energy, furthermore, the inferred quasiparticle dispersion relation for this band exhibits a kink at an energy of about 23 meV below the Fermi-energy. The kink is not found in LSDA calculations and, therefore, is attributable to a change in the quasiparticle mass renormalization by a factor of approximately 2. The existence of a kink in the quasiparticle dispersion relation of a band which does not cross the Fermi-energy is unprecedented. The origin of the observed depression of the band, its quasi-particle mass enhancement, and the characteristic energy are discussed on the basis of a theoretical model.

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.

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

Science.gov (United States)

Sant, S.; Schenk, A.

2017-10-01

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

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.

A universal high energy anomaly in angle resolved photoemission spectra of high temperature superconductors -- possible evidence of spinon and holon branches

International Nuclear Information System (INIS)

Graf, J.; Gweon, G.-H.; McElroy, K.; Zhou, S.Y.; Jozwiak, C.; Rotenberg, E.; Bill, A.; Sasagawa, T.; Eisaki, H.; Uchida, S.; Takagi, H.; Lee, D.-H.; Lanzara, A.

2006-01-01

A universal high energy anomaly in the single particle spectral function is reported in three different families of high temperature superconductors by using angle-resolved photoemission spectroscopy. As we follow the dispersing peak of the spectral function from the Fermi energy to the valence band complex, we find dispersion anomalies marked by two distinctive high energy scales, E 1 approx 0.38eV and E 2 approx 0.8 eV. E 1 marks the energy above which the dispersion splits into two branches. One is a continuation of the near parabolic dispersion, albeit with reduced spectral weight, and reaches the bottom of the band at the Gamma point at approx 0.5 eV. The other is given by a peak in the momentum space, nearly independent of energy between E 1 and E 2 . Above E 2 , a band-like dispersion re-emerges. We conjecture that these two energies mark the disintegration of the low energy quasiparticles into a spinon and holon branch in the high T c cuprates

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

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

Terahertz optical-Hall effect for multiple valley band materials: n-type silicon

International Nuclear Information System (INIS)

Kuehne, P.; Hofmann, T.; Herzinger, C.M.; Schubert, M.

2011-01-01

The optical-Hall effect comprises generalized ellipsometry at long wavelengths on samples with free-charge carriers placed within external magnetic fields. Measurement of the anisotropic magneto-optic response allows for the determination of the free-charge carrier properties including spatial anisotropy. In this work we employ the optical-Hall effect at terahertz frequencies for analysis of free-charge carrier properties in multiple valley band materials, for which the optical free-charge carrier contributions originate from multiple Brillouin-zone conduction or valence band minima or maxima, respectively. We investigate exemplarily the room temperature optical-Hall effect in low phosphorous-doped n-type silicon where free electrons are located in six equivalent conduction-band minima near the X-point. We simultaneously determine their free-charge carrier concentration, mobility, and longitudinal and transverse effective mass parameters.

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

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

Electronic and optical properties of the SiB{sub 2}O{sub 4} (B=Mg, Zn, and Cd) spinel oxides: An ab initio study with the Tran–Blaha-modified Becke–Johnson density functional

Energy Technology Data Exchange (ETDEWEB)

Allali, D. [Laboratory for Developing New Materials and their Characterization, University of Setif 1, 19000 Setif (Algeria); Bouhemadou, A., E-mail: a_bouhemadou@yahoo.fr [Laboratory for Developing New Materials and their Characterization, University of Setif 1, 19000 Setif (Algeria); Safi, E. Muhammad Abud Al [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Bin-Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Department of Physics, Faculty of Science and Humanitarian Studies, Salman Bin Abdalaziz University, Alkharj 11942 (Saudi Arabia); Chegaar, M. [Department of Physics, Faculty of Science, University of Setif 1, 19000 Setif (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, 29000 Mascara (Algeria); Reshak, A.H. [New Technologies-Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilson (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia)

2014-06-15

We report ab initio density functional theory calculations of the structural, electronic and optical properties of the spinel oxides SiMg{sub 2}O{sub 4}, SiZng{sub 2}O{sub 4}, and SiCd{sub 2}O{sub 4} using the full-potential linearized augmented plane-wave method. The structural parameters calculated using both the local density and generalized gradient approximations to the exchange-correlation potential are consistent with the literature data. To calculate the electronic properties, the exchange-correlation potential is treated with various functionals, and we find that the newly developed Tran–Blaha-modified Becke–Johnson functional significantly improves the band gap. We predict a direct band gap in all of the considered SiB{sub 2}O{sub 4} compounds, and the band gaps continuously decrease as the atomic size of the B element increases. The decrease in the fundamental direct band gap (Γ–Γ) from SiMg{sub 2}O{sub 4} to SiZn{sub 2}O{sub 4} to SiCd{sub 2}O{sub 4} can be attributed to p–d mixing in the upper valence bands of SiZn{sub 2}O{sub 4} and SiCd{sub 2}O{sub 4}. The lowest conduction band is well dispersive, similar to that found for transparent conducting oxides such as ZnO. This band is mainly defined by the s and p electrons of the Si and B (B=Mg, Zn, Cd) atoms. The topmost valence band is considerably less dispersive and is defined by O-2p and B–d electrons. The charge-carrier effective masses are evaluated at the topmost valence band and at the bottommost conduction band that were calculated. The frequency-dependent complex dielectric function, absorption coefficient, refractive index, extinction coefficient, reflectivity and electron energy loss function were estimated. We find that the value of the zero-frequency limit of the dielectric function ε(0) increases as the band gap decreases. The origins of the peaks and structures in the optical spectra are determined in terms of the calculated energy band structures.

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

Processing negative valence of word pairs that include a positive word.

Science.gov (United States)

Itkes, Oksana; Mashal, Nira

2016-09-01

Previous research has suggested that cognitive performance is interrupted by negative relative to neutral or positive stimuli. We examined whether negative valence affects performance at the word or phrase level. Participants performed a semantic decision task on word pairs that included either a negative or a positive target word. In Experiment 1, the valence of the target word was congruent with the overall valence conveyed by the word pair (e.g., fat kid). As expected, response times were slower in the negative condition relative to the positive condition. Experiment 2 included target words that were incongruent with the overall valence of the word pair (e.g., fat salary). Response times were longer for word pairs whose overall valence was negative relative to positive, even though these word pairs included a positive word. Our findings support the Cognitive Primacy Hypothesis, according to which emotional valence is extracted after conceptual processing is complete.

Fluorescence properties of valence-controlled Eu{sup 2+} and Mn{sup 2+} ions in aluminosilicate glasses

Energy Technology Data Exchange (ETDEWEB)

Van Tuyen, Ho [Duy Tan University, 3 Quang Trung, Hai Chau, Da Nang (Viet Nam); Nonaka, Takamasa; Yamanaka, Ken-ichi [Toyota Central R& D Labs., Inc., Nagakute, Aichi (Japan); Chau, Pham Minh; Quy Hai, Nguyen Thi; Quang, Vu Xuan [Duy Tan University, 3 Quang Trung, Hai Chau, Da Nang (Viet Nam); Nogami, Masayuki, E-mail: mnogami@mtj.biglobe.ne.jp [Toyota Physical and Chemical Research Institute, Nagakute, Aichi (Japan); Ton Duc Thang University, Ho Chi Minh City (Viet Nam); Duy Tan University, 3 Quang Trung, Hai Chau, Da Nang (Viet Nam)

2017-04-15

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{sub 2}O-Al{sub 2}O{sub 3}-SiO{sub 2} glasses were developed to dope Eu{sup 2+} and Mn{sup 2+} with well controlled valence states by heating in H{sub 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{sup 3+}, Mn{sup 3+} and Mn{sup 2+} ions incorporated in the as-prepared glasses, the Eu{sup 3+} and Mn{sup 3+} ions were reduced to Eu{sup 2+} and Mn{sup 2+} ions, respectively, by heating in H{sub 2} gas and OH bonds were concurrently formed. The fluorescence spectra of glasses heated in H{sub 2} exhibited broad emission bands at 450 and 630 nm wavelength, assigned to the Eu{sup 2+} and Mn{sup 2+}, respectively, ions, in which the fluorescence intensity at 450 nm was observed to decrease with increasing Mn{sup 2+} ion content. The increased fluorescence intensities were analyzed as the energy transfer from Eu{sup 2+} to Mn{sup 2+} ions and the energy transfer efficiency was estimated with a concentration of Eu{sup 2+}and Mn{sup 2+} ions.

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

International Nuclear Information System (INIS)

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

2007-01-01

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

X-ray photoelectron spectroscopy investigations of band offsets in Ga0.02Zn0.98O/ZnO heterojunction for UV photodetectors

Science.gov (United States)

Singh, Karmvir; Rawal, Ishpal; Punia, Rajesh; Dhar, Rakesh

2017-10-01

Here, we report the valence and conduction band offset measurements in pure ZnO and the Ga0.02Zn0.98O/ZnO heterojunction by X-Ray photoelectron spectroscopy studies for UV photodetector applications. For detailed investigations on the band offsets and UV photodetection behavior of Ga0.02Zn0.98O/ZnO heterostructures, thin films of pristine ZnO, Ga-doped ZnO (Ga0.02Zn0.98O), and heterostructures of Ga-doped ZnO with ZnO (Ga0.02Zn0.98O/ZnO) were deposited using a pulsed laser deposition technique. The deposited thin films were characterized by X-ray diffraction, atomic force microscopy, and UV-Vis spectroscopy. X-ray photoelectron spectroscopy studies were carried out on all the thin films for the investigation of valence and conduction band offsets. The valence band was found to be shifted by 0.28 eV, while the conduction band has a shifting of -0.272 eV in the Ga0.02Zn0.98O/ZnO heterojunction as compared to pristine ZnO thin films. All the three samples were analyzed for photoconduction behavior under UVA light of the intensity of 3.3 mW/cm2, and it was observed that the photoresponse of pristine ZnO (19.75%) was found to increase with 2 wt. % doping of Ga (22.62%) and heterostructured thin films (29.10%). The mechanism of UV photodetection in the deposited samples has been discussed in detail, and the interaction of chemisorbed oxygen on the ZnO surface with holes generated by UV light exposure has been the observed mechanism for the change in electrical conductivity responsible for UV photoresponse on the present deposited ZnO films.

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

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

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.

Simulation of the Band Structure of Graphene and Carbon Nanotube

International Nuclear Information System (INIS)

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

2012-01-01

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

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

Effect of the valence electron concentration on the bulk modulus and chemical bonding in Ta2AC and Zr2AC (A=Al, Si, and P)

International Nuclear Information System (INIS)

Schneider, Jochen M.; Music, Denis; Sun Zhimei

2005-01-01

We have studied the effect of the valence electron concentration, on the bulk modulus and the chemical bonding in Ta 2 AC and Zr 2 AC (A=Al, Si, and P) by means of ab initio calculations. Our equilibrium volume and the hexagonal ratio (c/a) agree well (within 2.7% and 1.2%, respectively) with previously published experimental data for Ta 2 AlC. The bulk moduli of both Ta 2 AC and Zr 2 AC increase as Al is substituted with Si and P by 13.1% and 20.1%, respectively. This can be understood since the substitution is associated with an increased valence electron concentration, resulting in band filling and an extensive increase in cohesion

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-08-07

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

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

Science.gov (United States)

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

2017-07-01

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

Correlation between electronic structure and energy band in Eu-doped CuInTe2 semiconductor compound with chalcopyrite structure

Institute of Scientific and Technical Information of China (English)

Tai Wang; Yong-Quan Guo; Shuai Li

2017-01-01

The Eu-doped Cu(In,Eu)Te2 semiconductors with chalcopyrite structures are promising materials for their applications in the absorption layer for thin-film solar cells due to their wider band-gaps and better optical properties than those of CulnTe2.In this paper,the Eu-doped CulnTe2 (Culn1-xEuxTe2,x =0,0.1,0.2,0.3) are studied systemically based on the empirical electron theory (EET).The studies cover crystal structures,bonding regularities,cohesive energies,energy levels,and valence electron structures.The theoretical values fit the experimental results very well.The physical mechanism of a broadened band-gap induced by Eu doping into CuInTe2 is the transitions between different hybridization energy levels induced by electron hopping between s and d orbitals and the transformations from the lattice electrons to valence electrons for Cu and In ions.The research results reveal that the photovoltaic effect induces the increase of lattice electrons of In and causes the electric resistivity to decrease.The Eu doping into CuInTe2 mainly influences the transition between different hybridization energy levels for Cu atoms,which shows that the 3d electron numbers of Cu atoms change before and after Eu doping.In single phase CuIn1-xEuxTe2,the number of valence electrons changes regularly with increasing Eu content,and the calculated band gap Eg also increases,which implies that the optical properties of Eu-doped CuIn1-xEuxTe2 are improved.

In-medium pion valence distributions in a light-front model

Energy Technology Data Exchange (ETDEWEB)

Melo, J.P.B.C. de, E-mail: joao.mello@cruzeirodosul.edu.br [Laboratório de Física Teórica e Computacional – LFTC, Universidade Cruzeiro do Sul, 01506-000 São Paulo (Brazil); Tsushima, K. [Laboratório de Física Teórica e Computacional – LFTC, Universidade Cruzeiro do Sul, 01506-000 São Paulo (Brazil); Ahmed, I. [Laboratório de Física Teórica e Computacional – LFTC, Universidade Cruzeiro do Sul, 01506-000 São Paulo (Brazil); National Center for Physics, Quaidi-i-Azam University Campus, Islamabad 45320 (Pakistan)

2017-03-10

Pion valence distributions in nuclear medium and vacuum are studied in a light-front constituent quark model. The in-medium input for studying the pion properties is calculated by the quark-meson coupling model. We find that the in-medium pion valence distribution, as well as the in-medium pion valence wave function, are substantially modified at normal nuclear matter density, due to the reduction in the pion decay constant.

Impact of band structure and transition matrix elements on polarization properties of the photoluminescence of semipolar and nonpolar InGaN quantum wells

Energy Technology Data Exchange (ETDEWEB)

Schade, L.; Schwarz, U.T. [Department of Microsystems Engineering, University of Freiburg, Georges-Koehler-Allee 103, 79108 Freiburg (Germany); Fraunhofer Institute for Applied Solid State Physics (IAF), Tullastrasse 72, 79108 Freiburg (Germany); Wernicke, T. [Institute of Solid State Physics, Technical University, Hardenbergstrasse 36, 10623 Berlin (Germany); Weyers, M. [Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Strasse 4, 12489 Berlin (Germany); Kneissl, M. [Institute of Solid State Physics, Technical University, Hardenbergstrasse 36, 10623 Berlin (Germany); Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Strasse 4, 12489 Berlin (Germany)

2011-03-15

Partial or full linear polarization is characteristic for the spontaneous emission of light from semipolar and nonpolar InGaN quantum wells. This property is an implication of the crystalline anisotropy as a basic property of the wurtzite structure. The influence of this anisotropy on the band structure and the transition matrix elements was calculated by a k.p-method for arbitrary quantum well orientations with respect to the c-axis; results are shown here in detail. Optical polarization is a direct consequence of a broken symmetry, mainly affecting the transition matrix elements from the conduction to the valence bands. Furthermore, the strain of the InGaN quantum well strongly depends on the crystal orientation of the substrate, resulting in a valence band mixing. The composition of the eigenfunctions has emerged to be most important for the polarization dependence of strained semipolar and nonpolar InGaN QW. The matrix elements, in combination with the thermal occupation of the bands, determine the polarization of the spontaneously emitted light. Our photoluminescence measurements of nonpolar QW match well with this model. However, in contrast to calculations with standard band parameters, the two topmost subbands show a larger separation in the emitted energy. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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…

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

Science.gov (United States)

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

2014-05-14

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

Two-color infrared detector

Science.gov (United States)

Klem, John F; Kim, Jin K

2014-05-13

A two-color detector includes a first absorber layer. The first absorber layer exhibits a first valence band energy characterized by a first valence band energy function. A barrier layer adjoins the first absorber layer at a first interface. The barrier layer exhibits a second valence band energy characterized by a second valence band energy function. The barrier layer also adjoins a second absorber layer at a second interface. The second absorber layer exhibits a third valence band energy characterized by a third valence band energy function. The first and second valence band energy functions are substantially functionally or physically continuous at the first interface and the second and third valence band energy functions are substantially functionally or physically continuous at the second interface.

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

Multispectral diagnostic imaging of the iris in pigment dispersion syndrome.

Science.gov (United States)

Roberts, Daniel K; Lukic, Ana; Yang, Yongyi; Wilensky, Jacob T; Wernick, Miles N

2012-08-01

To determine if wavelength selection with near infrared iris imaging may enhance iris transillumination defects (ITDs) in pigment dispersion syndrome. An experimental apparatus was used to acquire iris images in 6 African-American (AA) and 6 White patients with pigment dispersion syndrome. Light-emitting diode probes of 6 different spectral bands (700 to 950 nm) were used to project light into patients' eyes. Iris patterns were photographed, ITD regions of interest were outlined, and region of interest contrasts were calculated for each spectral band. Contrasts varied as a function of wavelength (Ppigmented eyes may be slightly longer than for less pigmented eyes.

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

International Nuclear Information System (INIS)

Allen, J. W.

2003-01-01

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

Pressure-induced valence change and moderate heavy fermion state in Eu-compounds

Science.gov (United States)

Honda, Fuminori; Okauchi, Keigo; Sato, Yoshiki; Nakamura, Ai; Akamine, Hiromu; Ashitomi, Yosuke; Hedo, Masato; Nakama, Takao; Takeuchi, Tetsuya; Valenta, Jaroslav; Prchal, Jiri; Sechovský, Vladimir; Aoki, Dai; Ōnuki, Yoshichika

2018-05-01

A pressure-induced valence transition has attracted much attention in Eu-compounds. Among them, EuRh2Si2, EuNi2Ge2, and EuCo2Ge2 reveal the valence transition around 1, 2, and 3 GPa, respectively. We have succeeded in growing single crystals of EuT2X2 (T: transition metal, X: Si, Ge) and studied electronic properties under pressure. EuRh2Si2 indicates a first-order valence transition between 1 and 2 GPa, with a large and prominent hysteresis in the electrical resistivity. At higher pressures, the first-order valence transition changes to a cross-over regime with an intermediate valence state. Tuning of the valence state with pressure is reflected in a drastic change of the temperature dependence of the electrical resistivity in EuRh2Si2 single crystals. Effect of pressure on the valence states on EuRh2Si2, EuIr2Si2, EuNi2Ge2, and EuCo2Ge2, as well as an isostructural related compound EuGa4, are reviewed.

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.

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.)

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.

The quasiparticle band structure of zincblende and rocksalt ZnO.

Science.gov (United States)

Dixit, H; Saniz, R; Lamoen, D; Partoens, B

2010-03-31

We present the quasiparticle band structure of ZnO in its zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. The effect of the p-d hybridization on the quasiparticle corrections to the band gap is discussed. We compare three systems, ZB-ZnO which shows strong p-d hybridization and has a direct band gap, RS-ZnO which is also hybridized but includes inversion symmetry and therefore has an indirect band gap, and ZB-ZnS which shows a weaker hybridization due to a change of the chemical species from oxygen to sulfur. The quasiparticle corrections are calculated with different numbers of valence electrons in the Zn pseudopotential. We find that the Zn(20+) pseudopotential is essential for the adequate treatment of the exchange interaction in the self-energy. The calculated GW band gaps are 2.47 eV and 4.27 eV respectively, for the ZB and RS phases. The ZB-ZnO band gap is underestimated compared to the experimental value of 3.27 by ∼ 0.8 eV. The RS-ZnO band gap compares well with the experimental value of 4.5 eV. The underestimation for ZB-ZnO is correlated with the strong p-d hybridization. The GW band gap for ZnS is 3.57 eV, compared to the experimental value of 3.8 eV.

Occupied and unoccupied electronic structure of Na doped MoS{sub 2}(0001)

Energy Technology Data Exchange (ETDEWEB)

Komesu, Takashi; Zhang, Xin; Dowben, P. A. [Department of Physics and Astronomy, Theodore Jorgensen Hall, 855 N 16th St., University of Nebraska, Lincoln, Nebraska 68588-0299 (United States); Le, Duy; Rahman, Talat S. [Department of Physics, University of Central Florida, 4000 Central Florida Blvd., Orlando, Florida 32816 (United States); Ma, Quan; Bartels, Ludwig [Department of Chemistry and the Materials Science and Engineering Program, University of California - Riverside, Riverside, California 92521 (United States); Schwier, Eike F.; Iwasawa, Hideaki; Shimada, Kenya [Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima 739-0046 (Japan); Kojima, Yohei; Zheng, Mingtian [Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Taniguchi, Masaki [Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima 739-0046 (Japan); Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)

2014-12-15

The influence of sodium on the band structure of MoS{sub 2}(0001) and the comparison of the experimental band dispersion with density functional theory show excellent agreement for the occupied states (angle-resolved photoemission) and qualitative agreement for the unoccupied states (inverse photoemission spectroscopy). Na-adsorption leads to charge transfer to the MoS{sub 2} surface causing an effect similar to n-type doping of a semiconductor. The MoS{sub 2} occupied valence band structure shifts rigidly to greater binding with little change in the occupied state dispersion. Likewise, the unoccupied states shift downward, approaching the Fermi level, yet the amount of the shift for the unoccupied states is greater than that of the occupied states, effectively causing a narrowing of the MoS{sub 2} bandgap.

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

Engineering flat electronic bands in quasiperiodic and fractal loop geometries

Energy Technology Data Exchange (ETDEWEB)

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

2015-11-06

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

Epitaxial Growth and Electronic Structure of Half Heuslers Co1-xNixTiSb (001), Ni1-xCoxTiSn, and PtLuSb

Science.gov (United States)

2016-01-09

lineup of CoTiSb with conventional III/V’s, the valence-band discontinuities in abrupt CoTiSb/InGaAs(001) and CoTiSb/InAlAs(001) heterojunctions were...confirm identification of a topological surface state: first, the state must be confined and show no out-of-plane dispersion; second, the state

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

Lying about the valence of affective pictures: an fMRI study.

Directory of Open Access Journals (Sweden)

Tatia M C Lee

Full Text Available The neural correlates of lying about affective information were studied using a functional magnetic resonance imaging (fMRI methodology. Specifically, 13 healthy right-handed Chinese men were instructed to lie about the valence, positive or negative, of pictures selected from the International Affective Picture System (IAPS while their brain activity was scanned by a 3T Philip Achieva scanner. The key finding is that the neural activity associated with deception is valence-related. Comparing to telling the truth, deception about the valence of the affectively positive pictures was associated with activity in the inferior frontal, cingulate, inferior parietal, precuneus, and middle temporal regions. Lying about the valence of the affectively negative pictures, on the other hand, was associated with activity in the orbital and medial frontal regions. While a clear valence-related effect on deception was observed, common neural regions were also recruited for the process of deception about the valence of the affective pictures. These regions included the lateral prefrontal and inferior parietal regions. Activity in these regions has been widely reported in fMRI studies on deception using affectively-neutral stimuli. The findings of this study reveal the effect of valence on the neural activity associated with deception. Furthermore, the data also help to illustrate the complexity of the neural mechanisms underlying deception.

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...

Evidence of ion intercalation mediated band structure modification and opto-ionic coupling in lithium niobite

Science.gov (United States)

Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan

2015-01-01

The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO2), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO2 has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance.

Evidence of ion intercalation mediated band structure modification and opto-ionic coupling in lithium niobite

International Nuclear Information System (INIS)

Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan

2015-01-01

The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO 2 ), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO 2 has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance

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

International Nuclear Information System (INIS)

Wang, Lin; Wang, Li-Gang

2015-01-01

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

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.

Investigation of the near-surface electronic structure of Cr(001)

International Nuclear Information System (INIS)

Klebanoff, L.E.; Robey, S.W.; Liu, G.; Shirley, D.A.

1985-01-01

An angle-resolved photoelectron spectroscopy (ARPES) study of Cr(001) near-surface electronic structure is presented. Measurements are reported for energy-band dispersions along the [010] direction parallel to the crystal surface. The periodicity of these band dispersions indicates that the valence electrons experience and self-consistently establish antiferromagnetism in the near-surface layers of Cr(001). We also present highly-surface-sensitive ARPES measurements of the energy-band dispersions along the [001] direction normal to the surface. The results suggest that the surface magnetic moments, which couple ferromagnetically to each other within the surface layer, couple antiferromagnetically to the moments of the atoms in the second layer. Temperature-dependent studies are presented that reveal the persistence of near-surface antiferromagnetic order for temperatures up to 2.5 times the bulk Neel temperature. The temperature dependence of this antiferromagnetic order suggests that its thermal stability derives in part from the stability of the Cr(001) ferromagnetic surface phase

Band-Structure of Thallium by the LMTO Method

DEFF Research Database (Denmark)

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

1977-01-01

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

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.

Defect induced structural inhomogeneity, ultraviolet light emission and near-band-edge photoluminescence broadening in degenerate In ₂ O ₃ nanowires

Energy Technology Data Exchange (ETDEWEB)

Mukherjee, Souvik; Sarkar, Ketaki; Wiederrecht, Gary P.; Schaller, Richard D.; Gosztola, David J.; Stroscio, Michael A.; Dutta, Mitra

2018-03-01

We demonstrate here defect induced changes on the morphology and surface properties of indium oxide (In2O3) nanowires and further study their effects on the near-band-edge (NBE) emission, thereby showing the significant influence of surface states on In2O3 nanostructure based device characteristics for potential optoelectronic applications. In2O3 nanowires with cubic crystal structure (c-In2O3) were synthesized via carbothermal reduction technique using a gold-catalyst-assisted vapor–liquid–solid method. Onset of strong optical absorption could be observed at energies greater than 3.5 eV consistent with highly n-type characteristics due to unintentional doping from oxygen vacancy (VO) defects as confirmed using Raman spectroscopy. A combination of high resolution transmission electron microscopy, x-ray photoelectron spectroscopy and valence band analysis on the nanowire morphology and stoichiometry reveals presence of high-density of VO defects on the surface of the nanowires. As a result, chemisorbed oxygen species can be observed leading to upward band bending at the surface which corresponds to a smaller valence band offset of 2.15 eV. Temperature dependent photoluminescence (PL) spectroscopy was used to study the nature of the defect states and the influence of the surface states on the electronic band structure and NBE emission has been discussed. Our data reveals significant broadening of the NBE PL peak consistent with impurity band broadening leading to band-tailing effect from heavy doping.

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...

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

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…

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.

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

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

International Nuclear Information System (INIS)

Carlsson, A.E.

1993-01-01

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

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

4f-5d hybridization in a high k dielectric

International Nuclear Information System (INIS)

Losovyj, Ya.B.; Tang, Jinke; Wang, Wendong; Hong Yuanjia; Palshin, Vadim; Tittsworth, Roland

2006-01-01

While intra-atomic f-d hybridization is expected, experimental confirmation of f-d hybridization in the photoemission final state leading to 4f band structure has been limited to 5f systems and compound systems with very shallow 4f levels. We demonstrate that core 4f states can contribute to the valence band structure in a wide band gap dielectric, in this case HfO 2 in the photoemission final state. In spite of the complications of sample charging, we find evidence of symmetry in the shallow 4f levels and wave vector dependent band dispersion, the latter consistent with the crystal structure of HfO 2

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

Science.gov (United States)

Zhu, Jun

2014-03-01

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

Interpretation of monoclinic hafnia valence electron energy-loss spectra by time-dependent density functional theory

Science.gov (United States)

Hung, L.; Guedj, C.; Bernier, N.; Blaise, P.; Olevano, V.; Sottile, F.

2016-04-01

We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m -HfO2) obtained from time-dependent density-functional theory (TDDFT) predictions and compared to energy-filtered spectroscopic imaging measurements in a high-resolution transmission-electron microscope. Fermi's golden rule density-functional theory (DFT) calculations can capture the qualitative features of the energy-loss spectrum, but we find that TDDFT, which accounts for local-field effects, provides nearly quantitative agreement with experiment. Using the DFT density of states and TDDFT dielectric functions, we characterize the excitations that result in the m -HfO2 energy-loss spectrum. The sole plasmon occurs between 13 and 16 eV, although the peaks ˜28 and above 40 eV are also due to collective excitations. We furthermore elaborate on the first-principles techniques used, their accuracy, and remaining discrepancies among spectra. More specifically, we assess the influence of Hf semicore electrons (5 p and 4 f ) on the energy-loss spectrum, and find that the inclusion of transitions from the 4 f band damps the energy-loss intensity in the region above 13 eV. We study the impact of many-body effects in a DFT framework using the adiabatic local-density approximation (ALDA) exchange-correlation kernel, as well as from a many-body perspective using "scissors operators" matched to an ab initio G W calculation to account for self-energy corrections. These results demonstrate some cancellation of errors between self-energy and excitonic effects, even for excitations from the Hf 4 f shell. We also simulate the dispersion with increasing momentum transfer for plasmon and collective excitation peaks.

Creation of quasi-Dirac points in the Floquet band structure of bilayer graphene.

Science.gov (United States)

Cheung, W M; Chan, K S

2017-06-01

We study the Floquet quasi-energy band structure of bilayer graphene when it is illuminated by two laser lights with frequencies [Formula: see text] and [Formula: see text] using Floquet theory. We focus on the dynamical gap formed by the conduction band with Floquet index  =  -1 and the valence band with Floquet index  =  +1 to understand how Dirac points can be formed. It is found that the dynamical gap does not have rotation symmetry in the momentum space, and quasi-Dirac points, where the conduction and valence bands almost touch, can be created when the dynamical gap closes along some directions with suitably chosen radiation parameters. We derive analytical expressions for the direction dependence of the dynamical gaps using Lowdin perturbation theory to gain a better understanding of the formation of quasi-Dirac points. When both radiations are circularly polarized, the gap can be exactly zero along some directions, when only the first and second order perturbations are considered. Higher order perturbations can open a very small gap in this case. When both radiations are linearly polarized, the gap can be exactly zero up to the fourth order perturbation and more than one quasi-Dirac point is formed. We also study the electron velocity around a dynamical gap and show that the magnitude of the velocity drops to values close to zero when the k vector is near to the gap minimum. The direction of the velocity also changes around the gap minimum, and when the gap is larger in value the change in the velocity direction is more gradual. The warping effect does not affect the formation of a Dirac point along the k x axis, while it prevents its formation when there is phase shift between the two radiations.

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.

Flat super-continuum generation based on normal dispersion nonlinear photonic crystal fibre

DEFF Research Database (Denmark)

Chow, K.K.; Takushima, Y.; Lin, C.

2006-01-01

Flat super-continuum generation spanning over the whole telecommunication band using a passively modelocked fibre laser source at 1550 nm together with a dispersion-flattened nonlinear photoinc crystal fibre is demonstrated. Since the pulses propagate in the normal dispersion regime of the fibre...

Modal expansions in periodic photonic systems with material loss and dispersion

DEFF Research Database (Denmark)

Wolff, Christian; Busch, Kurt; Mortensen, N. Asger

2018-01-01

in the presence of material dispersion can be overcome. We then formulate expressions for the band-structure derivative (∂ω)/(∂k) (complex group velocity) and the local and total density of transverse optical states. Our exact expressions hold for 3D periodic arrays of materials with arbitrary dispersion...

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.

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.

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

KAUST Repository

Tangi, Malleswararao

2016-07-25

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

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

KAUST Repository

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

2016-01-01

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

Valency state changes in lanthanide-contained systems under high pressure

Energy Technology Data Exchange (ETDEWEB)

Jayaraman, A

1980-08-01

Changes in valency state induced by pressure in samarium sulphide SmS remind one of alchemy, as the mat black initial substance shines golden after the electron transition. The alchemist's dream is of course not realized, however the compound does exhibit an unusually interesting behaviour in the new state. The valency state of samarium as newly appeared fluctuated very rapidly between two electron configurations. Manipulation of the valency state by pressure or chemical substitution can basically change the physical properties of systems containing lanthanides. The phenomena are described and discussed in the following survey.

Assignment of Nilsson orbitals at superdeformation - identical bands

Energy Technology Data Exchange (ETDEWEB)

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

1992-08-01

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

Band structure and dielectric function of TlInTe2

International Nuclear Information System (INIS)

Wakita, K.; Shim, Y.; Orudzhev, G.; Mamedov, N.; Hashimzade, F.

2006-01-01

The band structure of ternary chain TlInTe 2 was calculated with allowance for non-locality of ionic pseudo-potentials. The dielectric function, as well as the effective masses of holes and electrons, the effective number of valence electrons, and the function of characteristic losses were determined. The results of comparison between the calculated dielectric function and the one obtained ellipsometrically in the spectral range from 0.85 to 6 eV are quite favorable. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (Abstract Copyright [2006], Wiley Periodicals, Inc.)

Topologically distinct classes of valence-bond solid states with their parent Hamiltonians

International Nuclear Information System (INIS)

Tu Honghao; Zhang Guangming; Xiang Tao; Liu Zhengxin; Ng Taikai

2009-01-01

We present a general method to construct one-dimensional translationally invariant valence-bond solid states with a built-in Lie group G and derive their matrix product representations. The general strategies to find their parent Hamiltonians are provided so that the valence-bond solid states are their unique ground states. For quantum integer-spin-S chains, we discuss two topologically distinct classes of valence-bond solid states: one consists of two virtual SU(2) spin-J variables in each site and another is formed by using two SO(2S+1) spinors. Among them, a spin-1 fermionic valence-bond solid state, its parent Hamiltonian, and its properties are discussed in detail. Moreover, two types of valence-bond solid states with SO(5) symmetries are further generalized and their respective properties are analyzed as well.

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.

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.

Developmental Reversals in False Memory: Effects of Emotional Valence and Arousal

OpenAIRE

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 be manipulated factorially. False memories increased with age for unpresented semantic associates of word lists, and net accuracy (the ratio of true...

Electronic band structure, optical, dynamical and thermodynamic properties of cesium chloride (CsCl from first-principles

Directory of Open Access Journals (Sweden)

Bingol Suat

2015-01-01

Full Text Available The geometric structural optimization, electronic band structure, total density of states for valence electrons, density of states for phonons, optical, dynamical, and thermodynamical features of cesium chloride have been investigated by linearized augmented plane wave method using the density functional theory under the generalized gradient approximation. Ground state properties of cesium chloride are studied. The calculated ground state properties are consistent with experimental results. Calculated band structure indicates that the cesium chloride structure has an indirect band gap value of 5.46 eV and is an insulator. From the obtained phonon spectra, the cesium chloride structure is dynamically stable along the various directions in the Brillouin zone. Temperature dependent thermodynamic properties are studied using the harmonic approximation model.

Inter-band B(E2) transitions strengths in 160-170Dy nuclei

International Nuclear Information System (INIS)

Vargas, Carlos E; Lerma, Sergio; Velázquez, Víctor

2015-01-01

The rare earth region of the nuclear landscape is characterized by a large collectivity observed. The microscopic studies are difficult to perform in the region due to the enormous size of the valence spaces. The use of symmetries based models avoids that problem, because the symmetry allows to choose the most relevant degrees of freedom for the system under consideration. We present theoretical results for electromagnetic properties in 160-168 Dy isotopes employing the pseudo-SU(3) model. In particular, we study the B(E2) inter-band transition strengths between the ground state, γ and, β-bands. The model succesfully describes in a systematic way rotational features in these nuclei and allows to extrapolate toward the midshell nucleus 170 Dy

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

Band structure engineering for ultracold quantum gases in optical lattices

International Nuclear Information System (INIS)

Weinberg, Malte

2014-01-01

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

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.

Chromatic Dispersion Compensation Using Photonic Crystal Fibers with Hexagonal Distribution

Directory of Open Access Journals (Sweden)

Erick E. Reyes-Vera

2013-11-01

Full Text Available In this paper we show various configurations of photonic crystal fiber with hexagonal holes distribution for compensation of chromatic dispersion in optical communications links. The vectorial finite element method with scattering boundary condition was used for the analysis of the fibers. From these results it was estimated variation of the dispersion and the dispersion slope with respect to change in the diameter of the holes in the microstructure. With the above was possible to obtain values of dispersion in the C and L bands of telecommunications close to -850 ps / nm * km, with confinement losses 10-3 dB / km

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

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.

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

OpenAIRE

Maier, Robert S.

2003-01-01

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

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.

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

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.

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

Broad-band hard X-ray reflectors

DEFF Research Database (Denmark)

Joensen, K.D.; Gorenstein, P.; Hoghoj, P.

1997-01-01

Interest in optics for hard X-ray broad-band application is growing. In this paper, we compare the hard X-ray (20-100 keV) reflectivity obtained with an energy-dispersive reflectometer, of a standard commercial gold thin-film with that of a 600 bilayer W/Si X-ray supermirror. The reflectivity...... of the multilayer is found to agree extraordinarily well with theory (assuming an interface roughness of 4.5 Angstrom), while the agreement for the gold film is less, The overall performance of the supermirror is superior to that of gold, extending the band of reflection at least a factor of 2.8 beyond...... that of the gold, Various other design options are discussed, and we conclude that continued interest in the X-ray supermirror for broad-band hard X-ray applications is warranted....

Determination of band structure parameters and the quasi-particle gap of CdSe quantum dots by cyclic voltammetry.

Science.gov (United States)

Inamdar, Shaukatali N; Ingole, Pravin P; Haram, Santosh K

2008-12-01

Band structure parameters such as the conduction band edge, the valence band edge and the quasi-particle gap of diffusing CdSe quantum dots (Q-dots) of various sizes were determined using cyclic voltammetry. These parameters are strongly dependent on the size of the Q-dots. The results obtained from voltammetric measurements are compared to spectroscopic and theoretical data. The fit obtained to the reported calculations based on the semi-empirical pseudopotential method (SEPM)-especially in the strong size-confinement region, is the best reported so far, according to our knowledge. For the smallest CdSe Q-dots, the difference between the quasi-particle gap and the optical band gap gives the electron-hole Coulombic interaction energy (J(e1,h1)). Interband states seen in the photoluminescence spectra were verified with cyclic voltammetry measurements.

Evidence of ion intercalation mediated band structure modification and opto-ionic coupling in lithium niobite

Energy Technology Data Exchange (ETDEWEB)

Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan, E-mail: alan.doolittle@ece.gatech.edu [Department of Electrical and Computer Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States)

2015-01-21

The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO{sub 2}), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO{sub 2} has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance.

Memory effects of sleep, emotional valence, arousal and novelty in children.

Science.gov (United States)

Vermeulen, Marije C M; van der Heijden, Kristiaan B; Benjamins, Jeroen S; Swaab, Hanna; van Someren, Eus J W

2017-06-01

Effectiveness of memory consolidation is determined by multiple factors, including sleep after learning, emotional valence, arousal and novelty. Few studies investigated how the effect of sleep compares with (and interacts with) these other factors, of which virtually none are in children. The present study did so by repeated assessment of declarative memory in 386 children (45% boys) aged 9-11 years through an online word-pair task. Children were randomly assigned to either a morning or evening learning session of 30 unrelated word-pairs with positive, neutral or negative valenced cues and neutral targets. After immediately assessing baseline recognition, delayed recognition was recorded either 12 or 24 h later, resulting in four different assessment schedules. One week later, the procedure was repeated with exactly the same word-pairs to evaluate whether effects differed for relearning versus original novel learning. Mixed-effect logistic regression models were used to evaluate how the probability of correct recognition was affected by sleep, valence, arousal, novelty and their interactions. Both immediate and delayed recognition were worse for pairs with negatively valenced or less arousing cue words. Relearning improved immediate and delayed word-pair recognition. In contrast to these effects, sleep did not affect recognition, nor did sleep moderate the effects of arousal, valence and novelty. The findings suggest a robust inclination of children to specifically forget the pairing of words to negatively valenced cue words. In agreement with a recent meta-analysis, children seem to depend less on sleep for the consolidation of information than has been reported for adults, irrespective of the emotional valence, arousal and novelty of word-pairs. © 2017 European Sleep Research Society.

New Kronig-Penney equation emphasizing the band edge conditions

International Nuclear Information System (INIS)

Szmulowicz, Frank

2008-01-01

The Kronig-Penney problem is a textbook example for discussing band dispersions and band gap formation in periodic layered media. For example, in photonic crystals, the behaviour of bands next to the band edges is important for further discussions of such effects as inhibited light emission, slow light and negative index of refraction. However, the standard Kronig-Penney equation does not explicitly state the band edge conditions. This paper derives a new solution for the Kronig-Penney problem that explicitly displays the band edge conditions as well as contains all other essential physics of band formation. Therefore, the present exposition should show the student that the band edge conditions are not simply special cases of the familiar Kronig-Penney equation but, instead, are an integral part of the band theory. For the computationally minded student, the new equation is particularly convenient for calculating the positions of closely spaced band edges. The present results can be taught alongside the Kronig-Penney equation in advanced undergraduate or beginning graduate quantum mechanics, solid state theory and photonics courses dealing with wave propagation through periodic layered media

Advantages of low beam energies in a TEM for valence EELS

Science.gov (United States)

Stöger-Pollach, M.; Pongratz, P.

2010-02-01

Since the availability of monochromators in transmission electron microscopes (TEMs), electron energy loss spectrometry (EELS) is widely used to determine band gaps and the dielectric properties of semiconductors on a nano-metre scale. Nevertheless, three physical effects hamper straightforward analysis: (a) relativistic energy losses, (b) the delocalization of the energy loss which is in the 10 nano-metreer range for valence losses, and (c) the presence of interface plasmons. When reducing the operation voltage of the TEM one can kill two birds with one stone: (a) the relativistic losses will disappear as soon as veinvestigated sample) and (b) the delocalization will decrease, because it also depends on the energy of the incident electron probe. The determination of the optical properties of quantum structures is discussed in the case of GaP/GaAs interface at 200 keV and 20 keV beam energy, respectively. Further, the influence of the delocalization of the energy loss signal is discussed theoretically and experimentally.

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…

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.)

Coulter dispersant as positive electrolyte additive for the vanadium redox flow battery

International Nuclear Information System (INIS)

Chang Fang; Hu Changwei; Liu Xiaojiang; Liu Lian; Zhang Jianwen

2012-01-01

Coulter dispersants were investigated as the additive into the positive electrolyte (more than 1.8 M vanadium ions) of vanadium redox flow battery (VRB). The electrolyte stability tests showed that, at 45, 50 and 60 °C, the addition of 0.050–0.10 w/w Coulter dispersant IIIA (mainly containing coconut oil amine adduct with 15 ethylene oxide groups) into the positive electrolyte of VRB could significantly delay the time of precipitate formation from 1.8–12.3 h to 30.3 h ∼ 19.3 days. Moreover, the trace amount of Coulter dispersant IIIA as the additive can enhance the electrolyte stability without changing the valence state of vanadium ions, reducing the reversibility of the redox reactions and incurring other side reactions at the electrode. Using the Coulter IIIA dispersant as the additive also improved the energy efficiency of the VRB. The UV–vis spectra confirmed that the trace amount of Coulter IIIA dispersant did not chemically react with V(V) to form new substances. The synergy of Coulombic repulsion and steric hindrance between the macromolecular cationic surfactant additive and the solution reduced the aggregation of vanadium ions into V 2 O 5 and increased the supersaturation of V 2 O 5 crystal in the solution.

The band structure of carbonmonoxide on 2-D Au islands on graphene

KAUST Repository

Katsiev, Khabiboulakh

2014-06-01

The dispersion of the occupied molecular orbitals of carbon monoxide adsorbed on Au 2D islands, vapor-deposited on graphene/Ru(0 0 0 1), is seen to be wave vector dependent, as revealed by angle-resolved photoemission. The band dispersion is similar to CO monolayers adsorbed on many single crystal metal surfaces. Thus not only are the adsorbed gold islands on graphene flat and crystalline, as evident in the dispersion of the Au d-states, but the CO molecular adlayer is both molecular and ordered as well. The experimental angle-resolved photoemission combined with model calculations of the occupied CO band structure, suggest that, in spite of being a very weakly bound adsorbate, the CO adlayer on Au 2D islands on graphene is strongly hybridized to the Au layer. . © 2014 Elsevier B.V. All rights reserved.

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

Surface-site-selective study of valence electronic structures of clean Si(100)-2x1 using Si-L23VV Auger electron-Si-2p photoelectron coincidence spectroscopy

International Nuclear Information System (INIS)

Kakiuchi, Takuhiro; Nagaoka, Shinichi; Hashimoto, Shogo; Fujita, Narihiko; Tanaka, Masatoshi; Mase, Kazuhiko

2010-01-01

Valence electronic structures of a clean Si(100)-2x1 surface are investigated in a surface-site-selective way using Si-L 23 VV Auger electron-Si-2p photoelectron coincidence spectroscopy. The Si-L 23 VV Auger electron spectra measured in coincidence with Si-2p photoelectrons emitted from the Si up-atoms or Si 2nd-layer of Si(100)-2x1 suggest that the position where the highest density of valence electronic states located in the vicinity of the Si up-atoms is shifted by 0.8 eV towards lower binding energy relative to that in the vicinity of the Si 2nd-layer. Furthermore, the valence band maximum in the vicinity of the Si up-atoms is indicated to be shifted by 0.1 eV towards lower binding energy relative to that in the vicinity of the Si 2nd-layer. These results are direct evidence of the transfer of negative charge from the Si 2nd-layer to the Si up-atoms. (author)

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

Detailed characterization of complex banding in air-cooled bainitic steels

Directory of Open Access Journals (Sweden)

Morales-Rivas L.

2015-01-01

Full Text Available The presence of banding in a hot-rolled air-cooled bainitic steel has been thoroughly characterized. The banded microstructure was observed due to distinctive sensitivities to the etching agent. Microstructural and crystallographic studies by means of Scanning Electron Microscopy and Electron Backscatter Diffraction did not reveal any substantial differences between bands and matrix. However, solute segregation of some alloying elements was detected by Wavelength- Dispersive Spectroscopy, being found that bands are enriched in Cr, Mo and Si and depleted in Mn. Finally, a set of theoretical calculations suggested that the solidification mode is responsible for such unusual partitioning behavior, which is beneficial in terms of the bainitic transformation.

Structural and XPS studies of PSi/TiO2 nanocomposites prepared by ALD and Ag-assisted chemical etching

International Nuclear Information System (INIS)

Iatsunskyi, Igor; Kempiński, Mateusz; Nowaczyk, Grzegorz; Jancelewicz, Mariusz; Pavlenko, Mykola; Załęski, Karol; Jurga, Stefan

2015-01-01

Highlights: • Porous silicon/TiO 2 nanocomposites have been investigated. • Morphology and chemical composition of PSi/TiO 2 nanocomposites were established. • Valence-band XPS maximums for PSi/TiO 2 nanocomposites were found and analyzed. - Abstract: PSi/TiO 2 nanocomposites fabricated by atomic layer deposition (ALD) and metal-assisted chemical etching (MACE) were investigated. The morphology and phase structure of PSi/TiO 2 nanocomposites were studied by means of scanning electron microscopy (SEM), transmission electron microscopy (TEM) with an energy dispersive X-ray spectroscopy (EDX) and Raman spectroscopy. The mean size of TiO 2 nanocrystals was determined by TEM and Raman spectroscopy. X-ray photoelectron spectroscopy (XPS) was used to analyze the chemical elemental composition by observing the behavior of the Ti 2p, O 1s and Si 2p lines. TEM, Raman spectroscopy and XPS binding energy analysis confirmed the formation of TiO 2 anatase phase inside the PSi matrix. The XPS valence band analysis was performed in order to investigate the modification of PSi/TiO 2 nanocomposites electronic structure. Surface defects states of Ti 3+ at PSi/TiO 2 nanocomposites were identified by analyzing of XPS valence band spectra

Surface-site-selective study of valence electronic states of a clean Si(111)-7x7 surface using Si L23VV Auger electron and Si 2p photoelectron coincidence measurements

International Nuclear Information System (INIS)

Kakiuchi, Takuhiro; Tahara, Masashi; Nagaoka, Shin-ichi; Hashimoto, Shogo; Fujita, Narihiko; Tanaka, Masatoshi; Mase, Kazuhiko

2011-01-01

Valence electronic states of a clean Si(111)-7x7 surface are investigated in a surface-site-selective way using high-resolution coincidence measurements of Si pVV Auger electrons and Si 2p photoelectrons. The Si L 23 VV Auger electron spectra measured in coincidence with energy-selected Si 2p photoelectrons show that the valence band at the highest density of states in the vicinity of the rest atoms is shifted by ∼0.95 eV toward the Fermi level (E F ) relative to that in the vicinity of the pedestal atoms (atoms directly bonded to the adatoms). The valence-band maximum in the vicinity of the rest atoms, on the other hand, is shown to be shifted by ∼0.53 eV toward E F relative to that in the vicinity of the pedestal atoms. The Si 2p photoelectron spectra of Si(111)-7x7 measured in coincidence with energy-selected Si L 23 VV Auger electrons identify the topmost surface components, and suggest that the dimers and the rest atoms are negatively charged while the pedestal atoms are positively charged. Furthermore, the Si 2p-Si L 23 VV photoelectron Auger coincidence spectroscopy directly verifies that the adatom Si 2p component (usually denoted by C 3 ) is correlated with the surface state just below E F (usually denoted by S 1 ), as has been observed in previous angle-resolved photoelectron spectroscopy studies.

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.)

Band line-up determination at p- and n-type Al/4H-SiC Schottky interfaces using photoemission spectroscopy

Science.gov (United States)

Kohlscheen, J.; Emirov, Y. N.; Beerbom, M. M.; Wolan, J. T.; Saddow, S. E.; Chung, G.; MacMillan, M. F.; Schlaf, R.

2003-09-01

The band lineup of p- and n-type 4H-SiC/Al interfaces was determined using x-ray photoemission spectroscopy (XPS). Al was deposited in situ on ex situ cleaned SiC substrates in several steps starting at 1.2 Å up to 238 Å nominal film thickness. Before growth and after each growth step, the sample surface was characterized in situ by XPS. The analysis of the spectral shifts indicated that during the initial deposition stages the Al films react with the ambient surface contamination layer present on the samples after insertion into vacuum. At higher coverage metallic Al clusters are formed. The band lineups were determined from the analysis of the core level peak shifts and the positions of the valence bands maxima (VBM) depending on the Al overlayer thickness. Shifts of the Si 2p and C 1s XPS core levels occurred to higher (lower) binding energy for the p-(n-)type substrates, which was attributed to the occurrence of band bending due to Fermi-level equilibration at the interface. The hole injection barrier at the p-type interface was determined to be 1.83±0.1 eV, while the n-type interface revealed an electron injection barrier of 0.98±0.1 eV. Due to the weak features in the SiC valence bands measured by XPS, the VBM positions were determined using the Si 2p peak positions. This procedure required the determination of the Si 2p-to-VBM binding energy difference (99.34 eV), which was obtained from additional measurements.

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-07-01

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

Vertical-Cavity In-plane Heterostructures: Physics and Applications

DEFF Research Database (Denmark)

Taghizadeh, Alireza; Mørk, Jesper; Chung, Il-Sug

2015-01-01

We show that the in-plane heterostructures realized in vertical cavities with high contrast grating(HCG) reflector enables exotic configurations of heterostructure and photonic wells. In photonic crystal heterostructures forming a photonic well, the property of a confined mode is determined...... by the well width and barrier height. We show that in vertical-cavity in-plane heterostructures, anisotropic dispersion curvatures plays a key role as well, leading to exotic effects such as a photonic well with conduction band like well and a valence band like barrier. We investigate three examples...

Ultrafast and band-selective Auger recombination in InGaN quantum wells

International Nuclear Information System (INIS)

Williams, Kristopher W.; Monahan, Nicholas R.; Zhu, X.-Y.; Koleske, Daniel D.; Crawford, Mary H.

2016-01-01

In InGaN quantum well based light-emitting diodes, Auger recombination is believed to limit the quantum efficiency at high injection currents. Here, we report the direct observation of carrier loss from Auger recombination on a sub-picosecond timescale in a single InGaN quantum well using time-resolved photoemission. Selective excitations of different valence sub-bands reveal that the Auger rate constant decreases by two orders of magnitude as the effective hole mass decreases, confirming the critical role of momentum conservation.

Enhancement of phononic band gaps in ternary/binary structure

International Nuclear Information System (INIS)

Aly, Arafa H.; Mehaney, Ahmed

2012-01-01

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

The dynamics of a photonic band gap in 2D Si-based photonic crystals

International Nuclear Information System (INIS)

Glushko, O.Je.; Karachevtseva, L.A.

2006-01-01

The theoretical investigations of the photonic band structure of two-dimensional photonic crystals for the off-plane propagation of electromagnetic waves and the influence of a surface layer on the position and width of photonic band gaps are carried out. The experimentally measured width of a photonic band gap and the dispersion for two-dimensional silicon structures at the off-plane propagation of an electromagnetic wave correlate with the theoretical band gap position and width

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)

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.

Energetic band structure of Zn3P2 crystals

Science.gov (United States)

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

2013-01-01

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

Density functional study of electronic structure, elastic and optical properties of MNH2 (M=Li, Na, K, Rb)

International Nuclear Information System (INIS)

Babu, K Ramesh; Vaitheeswaran, G

2014-01-01

We report a systematic first principles density functional study on the electronic structure, elastic and optical properties of nitrogen based solid hydrogen storage materials LiNH 2 , NaNH 2 , KNH 2 , and RbNH 2 . The ground state structural properties are calculated by using standard density functional theory, and also dispersion corrected density functional theory. We find that van der Waals interactions are dominant in LiNH 2 whereas they are relatively weak in other alkali metal amides. The calculated elastic constants show that all the compounds are mechanically stable and LiNH 2 is found to be a stiffer material among the alkali metal amides. The melting temperatures are calculated and follow the order RbNH 2 2 2 2 . The electronic band structure is calculated by using the Tran–Blaha modified Becke–Johnson potential and found that all the compounds are insulators, with a considerable band gap. The [NH 2 ] − derived states completely dominate in the entire valence band region while the metal atom states occupy the conduction band. The calculated band structure is used to analyze the different interband optical transitions occurring between valence and conduction bands. Our calculations show that these materials have considerable optical anisotropy. (paper)

Valence-delocalization of the mixed-valence oxo-centered trinuclear iron propionates [FeIII2FeIIO(C2H5CO2)6(py)3[npy; n = 0, 1.5

International Nuclear Information System (INIS)

Nakamoto, Tadahiro; Katada, Motomi; Kawata, Satoshi; Kitagawa, Susumu; Sano, Hirotoshi; Konno, Michiko

1994-01-01

Mixed-valence trinuclear iron propionates [Fe III 2 Fe II O(C 2 H 5 CO 2 ) 6 (py) 3 [npy, where n = 0, 1.5, were synthesized and the structure of the pyridine-solvated complex was determined by single-crystal X-ray diffraction. Moessbauer spectra of the solvated propionate complex showed a temperature-dependent mixed-valence state related to phase transitions, reaching an almost delocalized valence state at room temperature. On the other hand, the non-solvated propionate showed a remarkable change of the spectral shape related to a phase transition, remaining in a localized valence state at higher temperatures up to room temperature. (orig.)

Application of the photoreflectance technique to the characterization of quantum dot intermediate band materials for solar cells

International Nuclear Information System (INIS)

Canovas, E.; Marti, A.; Lopez, N.; Antolin, E.; Linares, P.G.; Farmer, C.D.; Stanley, C.R.; Luque, A.

2008-01-01

Intermediate band materials rely on the creation of a new electronic band within the bandgap of a conventional semiconductor that is isolated from the conduction and valence band by a true zero density of states. Due to the presence of the intermediate band, a solar cell manufactured using these materials is capable of producing additional photocurrent, thanks to the absorption of photons with energy lower than the conventional bandgap. In this respect, the characterization of these materials by suitable techniques becomes a key element in the development of the new photovoltaic devices called intermediate band solar cells. The technique of photoreflectance is particularly suited to this purpose because it is contact-less and allows the characterization of the material without the need of actually manufacturing a complete device. Using room temperature photoreflectance we have analyzed intermediate band materials based on quantum dots and have been able to identify the energy levels involved. Also, from the photoreflectance data we have demonstrated the overlap of the wave-functions defined by the quantum dots

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

International Nuclear Information System (INIS)

Dorenbos, Pieter

2013-01-01

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

Development of banded microstructure in 34CrNiMo6 steel

Directory of Open Access Journals (Sweden)

A. Nagode

2016-07-01

Full Text Available In this paper the development of a banded microstructure in hot-rolled 34CrNiMo6 steel which consisted of bainitic and martensitic bands is explained. The chemical compositions of the bands were measured with energy dispersive x-ray spectroscopy (EDS, which showed that the martensitic bands contained more alloying elements (Mn, Cr, Mo, Si than bainitic bands. By using Oberhoffer reagent, the segregations of phosphorus were also revealed. These phosphorus segregations coincided with the positive segregations of the alloying elements. The continuous cooling transformation (CCT diagrams of steel were calculated. They confirmed the formation of martensite in positive segregations and the formation of bainite in negative segregations.

Quasiparticle semiconductor band structures including spin-orbit interactions.

Science.gov (United States)

Malone, Brad D; Cohen, Marvin L

2013-03-13

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

Segregation of information about emotional arousal and valence in horse whinnies.

Science.gov (United States)

Briefer, Elodie F; Maigrot, Anne-Laure; Mandel, Roi; Freymond, Sabrina Briefer; Bachmann, Iris; Hillmann, Edna

2015-04-21

Studying vocal correlates of emotions is important to provide a better understanding of the evolution of emotion expression through cross-species comparisons. Emotions are composed of two main dimensions: emotional arousal (calm versus excited) and valence (negative versus positive). These two dimensions could be encoded in different vocal parameters (segregation of information) or in the same parameters, inducing a trade-off between cues indicating emotional arousal and valence. We investigated these two hypotheses in horses. We placed horses in five situations eliciting several arousal levels and positive as well as negative valence. Physiological and behavioral measures collected during the tests suggested the presence of different underlying emotions. First, using detailed vocal analyses, we discovered that all whinnies contained two fundamental frequencies ("F0" and "G0"), which were not harmonically related, suggesting biphonation. Second, we found that F0 and the energy spectrum encoded arousal, while G0 and whinny duration encoded valence. Our results show that cues to emotional arousal and valence are segregated in different, relatively independent parameters of horse whinnies. Most of the emotion-related changes to vocalizations that we observed are similar to those observed in humans and other species, suggesting that vocal expression of emotions has been conserved throughout evolution.

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…

The power of emotional valence-from cognitive to affective processes in reading.

Science.gov (United States)

Altmann, Ulrike; Bohrn, Isabel C; Lubrich, Oliver; Menninghaus, Winfried; Jacobs, Arthur M

2012-01-01

The comprehension of stories requires the reader to imagine the cognitive and affective states of the characters. The content of many stories is unpleasant, as they often deal with conflict, disturbance or crisis. Nevertheless, unpleasant stories can be liked and enjoyed. In this fMRI study, we used a parametric approach to examine (1) the capacity of increasing negative valence of story contents to activate the mentalizing network (cognitive and affective theory of mind, ToM), and (2) the neural substrate of liking negatively valenced narratives. A set of 80 short narratives was compiled, ranging from neutral to negative emotional valence. For each story mean rating values on valence and liking were obtained from a group of 32 participants in a prestudy, and later included as parametric regressors in the fMRI analysis. Another group of 24 participants passively read the narratives in a three Tesla MRI scanner. Results revealed a stronger engagement of affective ToM-related brain areas with increasingly negative story valence. Stories that were unpleasant, but simultaneously liked, engaged the medial prefrontal cortex (mPFC), which might reflect the moral exploration of the story content. Further analysis showed that the more the mPFC becomes engaged during the reading of negatively valenced stories, the more coactivation can be observed in other brain areas related to the neural processing of affective ToM and empathy.

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

Science.gov (United States)

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

2012-01-30

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

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...

Influence of emotional valence and arousal on the spread of activation in memory.

Science.gov (United States)

Jhean-Larose, Sandra; Leveau, Nicolas; Denhière, Guy

2014-11-01

Controversy still persists on whether emotional valence and arousal influence cognitive activities. Our study sought to compare how these two factors foster the spread of activation within the semantic network. In a lexical decision task, prime words were varied depending on the valence (pleasant or unpleasant) or on the level of emotional arousal (high or low). Target words were carefully selected to avoid semantic priming effects, as well as to avoid arousing specific emotions (neutral). Three SOA durations (220, 420 and 720 ms) were applied across three independent groups. Results indicate that at 220 ms, the effect of arousal is significantly higher than the effect of valence in facilitating spreading activation while at 420 ms, the effect of valence is significantly higher than the effect of arousal in facilitating spreading activation. These findings suggest that affect is a sequential process involving the successive intervention of arousal and valence.

Femtosecond dynamics of electron transfer in a neutral organic mixed-valence compound

International Nuclear Information System (INIS)

Maksimenka, Raman; Margraf, Markus; Koehler, Juliane; Heckmann, Alexander; Lambert, Christoph; Fischer, Ingo

2008-01-01

In this article we report a femtosecond time-resolved transient absorption study of a neutral organic mixed-valence (MV) compound with the aim to gain insight into its charge-transfer dynamics upon optical excitation. The back-electron transfer was investigated in five different solvents, toluene, dibutyl ether, methyl-tert-butyl ether (MTBE), benzonitrile and n-hexane. In the pump step, the molecule was excited at 760 nm and 850 nm into the intervalence charge-transfer band. The resulting transients can be described by two time constant. We assign one time constant to the rearrangement of solvent molecules in the charge-transfer state and the second time constant to back-electron transfer to the electronic ground state. Back-electron transfer rates range from 1.5 x 10 12 s -1 in benzonitrile through 8.3 x 10 11 s -1 in MTBE, around 1.6 x 10 11 s -1 in dibutylether and toluene and to 3.8 x 10 9 s -1 in n-hexane

Robust indirect band gap and anisotropy of optical absorption in B-doped phosphorene.

Science.gov (United States)

Wu, Zhi-Feng; Gao, Peng-Fei; Guo, Lei; Kang, Jun; Fang, Dang-Qi; Zhang, Yang; Xia, Ming-Gang; Zhang, Sheng-Li; Wen, Yu-Hua

2017-12-06

A traditional doping technique plays an important role in the band structure engineering of two-dimensional nanostructures. Since electron interaction is changed by doping, the optical and electrochemical properties could also be significantly tuned. In this study, density functional theory calculations have been employed to explore the structural stability, and electronic and optical properties of B-doped phosphorene. The results show that all B-doped phosphorenes are stable with a relatively low binding energy. Of particular interest is that these B-doped systems exhibit an indirect band gap, which is distinct from the direct one of pure phosphorene. Despite the different concentrations and configurations of B dopants, such indirect band gaps are robust. The screened hybrid density functional HSE06 predicts that the band gap of B-doped phosphorene is slightly smaller than that of pure phosphorene. Spatial charge distributions at the valence band maximum (VBM) and the conduction band minimum (CBM) are analyzed to understand the features of an indirect band gap. By comparison with pure phosphorene, B-doped phosphorenes exhibit strong anisotropy and intensity of optical absorption. Moreover, B dopants could enhance the stability of Li adsorption on phosphorene with less sacrifice of the Li diffusion rate. Our results suggest that B-doping is an effective way of tuning the band gap, enhancing the intensity of optical absorption and improving the performances of Li adsorption, which could promote potential applications in novel optical devices and lithium-ion batteries.

Dispersion relation for pure dust Bernstein waves in a non-Maxwellian magnetized dusty plasma

International Nuclear Information System (INIS)

Deeba, F.; Ahmad, Zahoor; Murtaza, G.

2011-01-01

Pure dust Bernstein waves are investigated using non-Maxwellian kappa and (r,q) distribution functions in a collisionless, uniform magnetized dusty plasma. Dispersion relations for both the distributions are derived by considering waves whose frequency is of the order of dust cyclotron frequency, and dispersion curves are plotted. It is observed that the propagation band for dust Bernstein waves is rather narrow as compared with that of the electron Bernstein waves. However, the band width increases for higher harmonics, for both kappa and (r,q) distributions. Effect of dust charge on dispersion curves is also studied, and one observes that with increasing dust charge, the dispersion curves shift toward the lower frequencies. Increasing the dust to ion density ratio ((n d0 /n i0 )) causes the dispersion curve to shift toward the higher frequencies. It is also found that for large values of spectral index kappa (κ), the dispersion curves approach to the Maxwellian curves. The (r,q) distribution approaches the kappa distribution for r = 0, whereas for r > 0, the dispersion curves show deviation from the Maxwellian curves as expected. Relevance of this work can be found in astrophysical plasmas, where non-Maxwellian velocity distributions as well as dust particles are commonly observed.

Dispersion relation for pure dust Bernstein waves in a non-Maxwellian magnetized dusty plasma

Energy Technology Data Exchange (ETDEWEB)

Deeba, F. [National Tokamak Fusion Program, PAEC, P.O. Box 3329, Islamabad 44000 (Pakistan); Department of Physics, G.C. University, Lahore 54000 (Pakistan); Ahmad, Zahoor [National Tokamak Fusion Program, PAEC, P.O. Box 3329, Islamabad 44000 (Pakistan); Murtaza, G. [Salam Chair in Physics, G.C. University, Lahore 54000 (Pakistan)

2011-07-15

Pure dust Bernstein waves are investigated using non-Maxwellian kappa and (r,q) distribution functions in a collisionless, uniform magnetized dusty plasma. Dispersion relations for both the distributions are derived by considering waves whose frequency is of the order of dust cyclotron frequency, and dispersion curves are plotted. It is observed that the propagation band for dust Bernstein waves is rather narrow as compared with that of the electron Bernstein waves. However, the band width increases for higher harmonics, for both kappa and (r,q) distributions. Effect of dust charge on dispersion curves is also studied, and one observes that with increasing dust charge, the dispersion curves shift toward the lower frequencies. Increasing the dust to ion density ratio ((n{sub d0}/n{sub i0})) causes the dispersion curve to shift toward the higher frequencies. It is also found that for large values of spectral index kappa ({kappa}), the dispersion curves approach to the Maxwellian curves. The (r,q) distribution approaches the kappa distribution for r = 0, whereas for r > 0, the dispersion curves show deviation from the Maxwellian curves as expected. Relevance of this work can be found in astrophysical plasmas, where non-Maxwellian velocity distributions as well as dust particles are commonly observed.

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.

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.

Age-related emotional bias in processing two emotionally valenced tasks.

Science.gov (United States)

Allen, Philip A; Lien, Mei-Ching; Jardin, Elliott

2017-01-01

Previous studies suggest that older adults process positive emotions more efficiently than negative emotions, whereas younger adults show the reverse effect. We examined whether this age-related difference in emotional bias still occurs when attention is engaged in two emotional tasks. We used a psychological refractory period paradigm and varied the emotional valence of Task 1 and Task 2. In both experiments, Task 1 was emotional face discrimination (happy vs. angry faces) and Task 2 was sound discrimination (laugh, punch, vs. cork pop in Experiment 1 and laugh vs. scream in Experiment 2). The backward emotional correspondence effect for positively and negatively valenced Task 2 on Task 1 was measured. In both experiments, younger adults showed a backward correspondence effect from a negatively valenced Task 2, suggesting parallel processing of negatively valenced stimuli. Older adults showed similar negativity bias in Experiment 2 with a more salient negative sound ("scream" relative to "punch"). These results are consistent with an arousal-bias competition model [Mather and Sutherland (Perspectives in Psychological Sciences 6:114-133, 2011)], suggesting that emotional arousal modulates top-down attentional control settings (emotional regulation) with age.

Photoion mass spectroscopy and valence photoionization of hypoxanthine, xanthine and caffeine

Energy Technology Data Exchange (ETDEWEB)

Feyer, Vitaliy, E-mail: vitaliy.feyer@elettra.trieste.it [Sincrotrone Trieste, in Area Science Park, I-34012 Basovizza (Trieste) (Italy); Plekan, Oksana [Sincrotrone Trieste, in Area Science Park, I-34012 Basovizza (Trieste) (Italy)] [Institute of Electron Physics, 21 Universitetska St., 88017 Uzhgorod (Ukraine); Richter, Robert [Sincrotrone Trieste, in Area Science Park, I-34012 Basovizza (Trieste) (Italy); Coreno, Marcello [CNR-IMIP, Area della Ricerca di Roma 1, CP10, I-00016 Monterotondo Scalo (Italy)] [CNR-Laboratorio Nazionale TASC-INFM, I-34012 Basovizza (Trieste) (Italy); Prince, Kevin C. [Sincrotrone Trieste, in Area Science Park, I-34012 Basovizza (Trieste) (Italy)] [CNR-Laboratorio Nazionale TASC-INFM, I-34012 Basovizza (Trieste) (Italy)

2009-03-30

Photoionization mass spectra of hypoxanthine, xanthine and caffeine were measured using the photoelectron-photoion coincidence technique and noble gas resonance radiation at energies from 8.4 to 21.2 eV for ionization. The fragmentation patterns for these compounds show that hydrogen cyanide is the main neutral loss species at higher photon energies, while photoionization below 16.67 eV led predominantly to the parent ion. The valence photoelectron spectra of this family of molecules were measured over an extended energy range, including the inner C, N and O 2s valence orbitals. The observed ion fragments were related to ionization of the valence orbitals.

A bird’s eye view on the flat and conic band world of the honeycomb and Kagome lattices: towards an understanding of 2D metal-organic frameworks electronic structure

Science.gov (United States)

Barreteau, C.; Ducastelle, F.; Mallah, T.

2017-11-01

We present a thorough tight-binding analysis of the band structure of a wide variety of lattices belonging to the class of honeycomb and Kagome systems including several mixed forms combining both lattices. The band structure of these systems are made of a combination of dispersive and flat bands. The dispersive bands possess Dirac cones (linear dispersion) at the six corners (K points) of the Brillouin zone although in peculiar cases Dirac cones at the center of the zone (Γ point) appear. The flat bands can be of different nature. Most of them are tangent to the dispersive bands at the center of the zone but some, for symmetry reasons, do not hybridize with other states. The objective of our work is to provide an analysis of a wide class of so-called ligand-decorated honeycomb Kagome lattices that are observed in a 2D metal-organic framework where the ligand occupy honeycomb sites and the metallic atoms the Kagome sites. We show that the p x -p y graphene model is relevant in these systems and there exists four types of flat bands: Kagome flat (singly degenerate) bands, two kinds of ligand-centered flat bands (A2 like and E like, respectively doubly and singly degenerate) and metal-centered (three fold degenerate) flat bands.

Orbital momentum profiles and binding energy spectra for the complete valence shell of molecular fluorine

Energy Technology Data Exchange (ETDEWEB)

Zheng, Y.; Brion, C.E. [British Columbia Univ., Vancouver, BC (Canada). Dept. of Chemistry; Brunger, M.J.; Zhao, K.; Grisogono, A.M.; Braidwood, S.; Weigold, E. [Flinders Univ. of South Australia, Adelaide, SA (Australia). Electronic Structure of Materials Centre; Chakravorty, S.J.; Davidson, E.R. [Indiana Univ., Bloomington, IN (United States). Dept. of Chemistry; Sgamellotti, A. [Univ di Perugia (Italy). Dipartimento di Chimica; von Niessen, W. [Technische Univ. Braunschweig (Germany). Inst fuer Physikalische

1996-01-01

The first electronic structural study of the complete valence shell binding energy spectrum of molecular fluorine, encompassing both the outer and inner valence regions, is reported. These binding energy spectra as well as the individual orbital momentum profiles have been measured using an energy dispersive multichannel electron momentum spectrometer at a total energy of 1500 eV, with an energy resolution of 1.5 eV and a momentum resolution of 0.1 a.u. The measured binding energy spectra in the energy range of 14-60 eV are compared with the results of ADC(4) many-body Green`s function and also direct-Configuration Interaction (CI) and MRSD-CI calculations. The experimental orbital electron momentum profiles are compared with SCF theoretical profiles calculated using the target Hartree-Fock approximation with a range of basis sets and with Density Functional Theory predictions in the target Kohn-Sham approximation with non-local potentials. The truncated (aug-cc-pv5z) Dunning basis sets were used for the Density Functional Theory calculations which also include some treatment of correlation via the exchange and correlation potentials. Comparisons are also made with the full ion-neutral overlap amplitude calculated with MRSD-CI wave functions. Large, saturated basis sets (199-GTO) were employed for both the high level SCF near Hartree-Fock limit and MRSD-CI calculations to investigate the effects of electron correlation and relaxation. 66 refs., 9 tabs., 9 figs.

Orbital momentum profiles and binding energy spectra for the complete valence shell of molecular fluorine

International Nuclear Information System (INIS)

Zheng, Y.; Brion, C.E.; Brunger, M.J.; Zhao, K.; Grisogono, A.M.; Braidwood, S.; Weigold, E.; Chakravorty, S.J.; Davidson, E.R.; Sgamellotti, A.; von Niessen, W.

1996-01-01

The first electronic structural study of the complete valence shell binding energy spectrum of molecular fluorine, encompassing both the outer and inner valence regions, is reported. These binding energy spectra as well as the individual orbital momentum profiles have been measured using an energy dispersive multichannel electron momentum spectrometer at a total energy of 1500 eV, with an energy resolution of 1.5 eV and a momentum resolution of 0.1 a.u. The measured binding energy spectra in the energy range of 14-60 eV are compared with the results of ADC(4) many-body Green's function and also direct-Configuration Interaction (CI) and MRSD-CI calculations. The experimental orbital electron momentum profiles are compared with SCF theoretical profiles calculated using the target Hartree-Fock approximation with a range of basis sets and with Density Functional Theory predictions in the target Kohn-Sham approximation with non-local potentials. The truncated (aug-cc-pv5z) Dunning basis sets were used for the Density Functional Theory calculations which also include some treatment of correlation via the exchange and correlation potentials. Comparisons are also made with the full ion-neutral overlap amplitude calculated with MRSD-CI wave functions. Large, saturated basis sets (199-GTO) were employed for both the high level SCF near Hartree-Fock limit and MRSD-CI calculations to investigate the effects of electron correlation and relaxation. 66 refs., 9 tabs., 9 figs

Band gap bowings and anomalous pressure effects in III–V nitride alloys: Role of In-segregation

DEFF Research Database (Denmark)

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

2011-01-01

Using ab initio calculations a comparison between InxGa1-xN, InxAl1-xN and GaxAl1-xN is performed to examine the role of indium in nitride alloys. The band gap, Eg, as well as its pressure coefficient, dEg/dp, are studied as functions of chemical composition, x. Following theoretical...... are most pronounced in InxAl1-xN, (with x=0.25) and depend strongly on clustering geometry. It is shown that the In–N bonds are shortened when more than one In-cation is bound to one nitrogen anion. The strong hybridization of wave functions (In-p,d-states and N-p-states) at the top of the valence band...

Whistler Triggered Upper Band Chorus Observed in Alaska

Science.gov (United States)

Hosseini, P.; Golkowski, M.

2017-12-01

VLF radiation from lightning discharges is one of several sources of energy injection into the inner magnetosphere from the Earth. Lightning discharges initially produce a broadband impulse or `sferic' but after propagation in the dispersive magnetosphere this waveform soon becomes quasi narrow band with the characteristic spectrographic form of the whistler. Most of the lightning induced VLF wave energy injected into the magnetosphere will be unducted with a k-vector which becomes increasingly oblique. Although unducted radiation is ubiquitous throughout the inner magnetosphere, it is generally of a low amplitude due to Landau damping and is not expected to produce strong nonlinear phenomena such as triggered emissions and chorus waves. However, VLF wave energy ducted or trapped in field-aligned plasma density enhancements can have relatively large amplitudes due to focusing and also linear cyclotron resonance growth. Therefore high amplitude ducted whistler waves can trigger a number of complex nonlinear phenomena. These include the triggering of VLF emissions and triggering of VLF hiss or chorus. Such phenomena are generally considered to result from nonlinear electron cyclotron phase trapping. Observation of such VLF emissions triggered by natural whistlers have been reported since the 1970s in Antarctica. We present observations of whistlers triggered upper band chorus emission from Alaska. Dispersion analyze of whistlers determine the L-shell range to be 4.5 clear frequency band gap between upper and lower band of the observed chorus emissions. The observations point to ducted chorus generation in the vicinity of the plasmapause boundary.

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.

Macroscopic optical response and photonic bands

International Nuclear Information System (INIS)

Pérez-Huerta, J S; Luis Mochán, W; Ortiz, Guillermo P; Mendoza, Bernardo S

2013-01-01

We develop a formalism for the calculation of the macroscopic dielectric response of composite systems made of particles of one material embedded periodically within a matrix of another material, each of which is characterized by a well-defined dielectric function. The nature of these dielectric functions is arbitrary, and could correspond to dielectric or conducting, transparent or opaque, absorptive and dispersive materials. The geometry of the particles and the Bravais lattice of the composite are also arbitrary. Our formalism goes beyond the long-wavelength approximation as it fully incorporates retardation effects. We test our formalism through the study of the propagation of electromagnetic waves in two-dimensional photonic crystals made of periodic arrays of cylindrical holes in a dispersionless dielectric host. Our macroscopic theory yields a spatially dispersive macroscopic response which allows the calculation of the full photonic band structure of the system, as well as the characterization of its normal modes, upon substitution into the macroscopic field equations. We can also account approximately for the spatial dispersion through a local magnetic permeability and analyze the resulting dispersion relation, obtaining a region of left handedness. (paper)

Density Functional Theory Calculations Revealing Metal-like Band Structures for Ultrathin Ge {111} and {211} Surface Layers.

Science.gov (United States)

Tan, Chih-Shan; Huang, Michael Hsuan-Yi

2018-05-21

To find out if germanium should also possess facet-dependent electrical conductivity properties, surface state density functional theory (DFT) calculations were performed on 1-6 layers of Ge (100), (110), (111), and (211) planes. Tunable Ge (100) and (110) planes always present the same semiconducting band structure with a band gap of 0.67 eV expected of bulk germanium. In contrast, 1, 2, 4, and 5 layers of Ge (111) and (211) plane models show metal-like band structures with continuous density of states (DOS) throughout the entire band. For 3 and 6 layers of Ge (111) and (211) plane models, the normal semiconducting band structure was obtained. The plane layers with metal-like band structures also show Ge-Ge bond length deviations and bond distortions, as well as significantly different 4s and 4p frontier orbital electron count and their relative percentages integrated over the valence and conduction bands from those of the semiconducting state. These differences should contribute to strikingly dissimilar band structures. The calculation results suggest observation of facet-dependent electrical conductivity properties of germanium materials, and transistors made of germanium may also need to consider the facet effects with shrinking dimensions approaching 3 nm. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Surface band structures on Nb(001)

International Nuclear Information System (INIS)

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

1994-01-01

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

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

The bidirectional congruency effect of brightness-valence metaphoric association in the Stroop-like and priming paradigms.

Science.gov (United States)

Huang, Yanli; Tse, Chi-Shing; Xie, Jiushu

2017-11-04

The conceptual metaphor theory (Lakoff & Johnson, 1980, 1999) postulates a unidirectional metaphoric association between abstract and concrete concepts: sensorimotor experience activated by concrete concepts facilitates the processing of abstract concepts, but not the other way around. However, this unidirectional view has been challenged by studies that reported a bidirectional metaphoric association. In three experiments, we tested the directionality of the brightness-valence metaphoric association, using Stroop-like paradigm, priming paradigm, and Stroop-like paradigm with a go/no-go manipulation. Both mean and vincentile analyses of reaction time data were performed. We showed that the directionality of brightness-valence metaphoric congruency effect could be modulated by the activation level of the brightness/valence information. Both brightness-to-valence and valence-to-brightness metaphoric congruency effects occurred in the priming paradigm, which could be attributed to the presentation of prime that pre-activated the brightness or valence information. However, in the Stroop-like paradigm the metaphoric congruency effect was only observed in the brightness-to-valence direction, but not in the valence-to-brightness direction. When the go/no-go manipulation was used to boost the activation of word meaning in the Stroop-like paradigm, the valence-to-brightness metaphoric congruency effect was observed. Vincentile analyses further revealed that valence-to-brightness metaphoric congruency effect approached significance in the Stroop-like paradigm when participants' reaction times were slower (at around 490ms). The implications of the current findings on the conceptual metaphor theory and embodied cognition are discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

Determination of band-structure parameters of Pbsub(1-x)Snsub(x)Te narrow-gap semiconductor from infrared Faraday rotation

International Nuclear Information System (INIS)

Sizov, F.F.; Lashkarev, G.V.; Martynchuk, E.K.

1977-01-01

The temeprature dependences of Faraday rotation in Pbsub(1-x)Snsub(x)Te of p type with the hole density 3x10 16 -2.2x10 18 cm -3 are studied in the range 40-370 K and in the spectral interval 4-16 μm. The analysis of interband Faraday rotation confirms a conclusion made by the authors earlier that the g factor for the c band (gsub(c)) is positive, for the v band (gsub(v))-negative and that [gsub(c)] > [gsub(v)]. The temperature dependences of carrier effective masses are investigated on the basis of the two-band model. It is demonstrated that for T < 200 K the Faraday effective mass of holes near the ceiling of the valency band varies in direct proportion to the width of the forbidden band. The temperature increase of the Faraday effective mass of current carriers, which is faster than that of the effective electron mass, is discovered, and this is related to the effect of the heavy hole band

Band structures in Sierpinski triangle fractal porous phononic crystals

International Nuclear Information System (INIS)