Search results for "BAND"
showing 10 items of 2610 documents
Influence of applied strain on the microstructural corrosion of AlMg2 as-cast aluminium alloy in sodium chloride solution
2012
International audience; The corrosion behavior of ISO AlMg2 (AA5052) was studied at the microscale using the Electrochemical Microcell Technique. The influence of plastic deformation on the corrosion resistance of this alloy was also examined. After polishing, pitting at small copper-enriched precipitates and structural etching were observed. After deformation, numerous slip bands were found in grains. After 5.5% plastic strain, the global electrochemical behavior of samples was significantly affected. Pitting potential was decreased in sites containing slip bands or in sites with large strain gradients (measured using microgauges deposited by lithography).
Proton sponge lead halides containing 1D polyoctahedral chains
2021
Hybrid one-dimensional lead halides, containing the protonated 1,8-bis(dimethylamino)naphthalene moiety (C14H19N2, monoprotonated "proton sponge"), were prepared by simple one-pot methods and investigated in terms of crystal structure, morphology, thermal stability and electronic properties. The as-precipitated (C14H19N2)PbBr3 and (C14H19N2)PbI3 species are isostructural and crystallize in the orthorhombic Pbca space group, resulting in 1D crystal phases with ([PbX3](-))(infinity) chains (built by face-sharing [PbX6] octahedra; X = Br, I), among which the (C14H19N2)(+) cations are inserted. The two compounds display complete miscibility in the solid state: both (C14H19N2)PbI2Br and (C14H19N…
On-Surface Synthesis of Antiaromatic and Open-Shell Indeno[2,1- b ]fluorene Polymers and Their Lateral Fusion into Porous Ribbons
2019
Polycyclic hydrocarbons have received great attention due to their potential role in organic electronics and, for open-shell systems with unpaired electron densities, in spintronics and da-ta storage. However, the intrinsic instability of polyradical hydrocarbons severely limits de-tailed investigations of their electronic structure. Here, we report the on-surface synthesis of conjugated polymers consisting of indeno[2,1-b]fluorene units, which are antiaromatic and open-shell biradicaloids. The observed reaction products, which also include a non-benzenoid porous ribbon arising from lateral fusion of unprotected indeno[2,1-b]fluorene chains, have been characterized via low temperature scann…
Modulating the polarization of broadband terahertz pulses from a spintronic emitter at rates up to 10 kHz
2021
Reliable modulation of terahertz electromagnetic waveforms is important for many applications. Here, we rapidly modulate the direction of the electric field of linearly polarized terahertz electromagnetic pulses with 1–30 THz bandwidth by applying time-dependent magnetic fields to a spintronic terahertz emitter. Polarity modulation of the terahertz field with more than 99% contrast at a rate of 10 kHz is achieved using a harmonic magnetic field. By adding a static magnetic field, we modulate the direction of the terahertz field between angles of, for instance, −53° and 53° at kilohertz rates. We believe our approach makes spintronic terahertz emitters a promising source for low-noise modula…
Laser-Calorimetric Study of Fundamental Absorption Edge in Pb,La(ZrTi)O3 (PLZT) Perovskite Ceramics
2000
The values of the light absorption coefficient of PLZT 10/65/35 ceramics at selected wavelengths have been obtained by laser calorimetric measurements. The absorption coefficient of the PLZT ceramics is an exponential function of the photon energy. Two values of characteristic Urbach energy have been found ΔE1 = 106 meV and ΔE2 = 238 meV. The first one is a characteristic of the potential of electron-phonon interaction of the optically excited transitions from the valence band to the conduction band and does not depend on lattice defects or admixtures. The other characterises the electron-phonon interaction at optical transitions between two localized electron states in the energy gap separ…
Growth and characterization of ZnO1−xSx highly mismatched alloys over the entire composition
2015
Alloys from ZnO and ZnS have been synthesized by radio-frequency magnetron sputtering over the entire alloying range. The ZnO1−xSx films are crystalline for all compositions. The optical absorption edge of these alloys decreases rapidly with small amount of added sulfur (x ∼ 0.02) and continues to red shift to a minimum of 2.6 eV at x = 0.45. At higher sulfur concentrations (x > 0.45), the absorption edge shows a continuous blue shift. The strong reduction in the band gap for O-rich alloys is the result of the upward shift of the valence-band edge with x as observed by x-ray photoelectron spectroscopy. As a result, the room temperature bandgap of ZnO1−xSx alloys can be tuned from 3.7 eV to …
Interlayer and intralayer excitons in MoS2/WS2 and MoSe2/WSe2 heterobilayers
2018
Accurately described excitonic properties of transition metal dichalcogenide heterobilayers (HBLs) are crucial to comprehend the optical response and the charge carrier dynamics of them. Excitons in multilayer systems possess an inter- or intralayer character whose spectral positions depend on their binding energy and the band alignment of the constituent single layers. In this paper, we report the electronic structure and the absorption spectra of ${\mathrm{MoS}}_{2}/{\mathrm{WS}}_{2}$ and ${\mathrm{MoSe}}_{2}/{\mathrm{WSe}}_{2}$ HBLs from first-principles calculations. We explore the spectral positions, binding energies, and the origins of inter- and intralayer excitons and compare our re…
Spin-resolved unoccupied density of states in epitaxial Heusler-alloy films
2009
We investigate the electronic properties of epitaxial ${\text{Co}}_{2}({\text{Fe}}_{x}{\text{Mn}}_{1\ensuremath{-}x})\text{Si}$, ${\text{Co}}_{2}\text{Fe}({\text{Al}}_{1\ensuremath{-}x}{\text{Si}}_{x})$, and ${\text{Co}}_{2}({\text{Cr}}_{0.6}{\text{Fe}}_{0.4})\text{Al}$ films on MgO(100) substrates using circular dichroism in x-ray absorption spectroscopy (XMCD). Considering final-state electron correlations, the spin-resolved partial density of states at the Co atom can be extracted from XMCD data. The experimental results corroborate the predicted half-metallic ferromagnetic properties of these alloys and reveal a compositional dependence of the Fermi energy position within the minority b…
Exciton interaction with Ce3+ and Ce4+ ions in (LuGd)3(Ga,Al)5O12 ceramics
2021
The authors acknowledge the expert help of the staff of MAX IV Laboratory. The research leading to this result has been supported by the project CALIPSOplus under the Grant Agreement 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020. I.V. acknowledges the support of Russian Foundation for Basic Research # 20-52-S52001.
Calculation of vibrationally resolved absorption and fluorescence spectra of the rylenes
2020
A generating function method was used to simulate the vibrationally resolved absorption and emission spectra of perylene, terrylene and quaterrylene. This method operates on the basis of adiabatic excitation energies and electronic ground and excited state vibrational frequencies. These parameters were calculated using density functional theory with the PBE0 functional for perylene and terrylene and with the BH-LYP functional for quaterrylene. The vertical excitation energies of the lower excited states were calculated using functionals with differing amounts of Hartree-Fock exchange. The optimal functional for each molecule was chosen by comparing these energies to literature excitation en…