Search results for "Electrons"
showing 10 items of 1325 documents
Radial electron fluence around ion tracks as a new physical parameter for the detection threshold of PADC using Geant4-DNA toolkit
2018
International audience; The detection threshold of poly(allyl dyglycol carbonate), PADC, for C ions is determined as 55 eV/nm in stopping power, which is significantly higher than that for proton and He ions. The stopping power is not a universal parameter for expressing the detection threshold of PADC. A new physical parameter of Radial Electron Fluence around Ion Tracks, REFIT, is proposed to describe the detection threshold of PADC. It is defined as the number density of electrons passing through the surface of a cylinder of a certain radius that is co-axial with the trajectory. Furthermore, preliminary calculations are presently being performed using the Monte Carlo simulation code of G…
Inside Back Cover: First Step Towards a Devil's Staircase in Spin-Crossover Materials (Angew. Chem. Int. Ed. 30/2016)
2016
International audience; Periodic and aperiodic spin-state concentration waves form during “Devil's staircase”-type spin-crossover in a new bimetallic 2D coordination polymer {Fe[(Hg(SCN)3)2](4,4′-bipy)2}n. In their Communication on page 8675 ff., J. A. Real, E. Collet et al. describe the appearance of spin-state concentration waves between long-range spatially ordered structures of low- and high-spin states during multistep spin-crossover.
Fast Green’s Function Method for Ultrafast Electron-Boson Dynamics
2020
The interaction of electrons with quantized phonons and photons underlies the ultrafast dynamics of systems ranging from molecules to solids, and it gives rise to a plethora of physical phenomena experimentally accessible using time-resolved techniques. Green's function methods offer an invaluable interpretation tool since scattering mechanisms of growing complexity can be selectively incorporated in the theory. Currently, however, real-time Green's function simulations are either prohibitively expensive due to the cubic scaling with the propagation time or do neglect the feedback of electrons on the bosons, thus violating energy conservation. We put forward a computationally efficient Gree…
In situ transmission electron microscopy study of electron beam-induced transformations in colloidal cesium lead halide perovskite nanocrystals
2017
An increasing number of studies have recently reported the rapid degradation of hybrid and all-inorganic lead halide perovskite nanocrystals under electron beam irradiation in the transmission electron microscope, with the formation of nanometer size, high contrast particles. The nature of these nanoparticles and the involved transformations in the perovskite nanocrystals are still a matter of debate. Herein, we have studied the effects of high energy (80/200 keV) electron irradiation on colloidal cesium lead bromide (CsPbBr3) nanocrystals with different shapes and sizes, especially 3 nm thick nanosheets, a morphology that facilitated the analysis of the various ongoing processes. Our resul…
Underdamped soft phonon in orthorhombic BaTiO3
1990
Abstract Raman scattering measurements are reported in orthorhombic phase and through the orthorhombic-rhombohedral transition of BaTiO3. Spectra reveal the presence of an underdamped low frequency phonon which slightly softens with decreasing temperature and abruptly stiffens at the transition to the rhombohedral phase. Results are discussed in comparison with isomorphous KNbO3 and tetragonal BaTiO3 and are interpreted as due to a dominant displacive mechanism.
Metamagnetic Behavior in [M (tvp) (NCS)2] Coordination Polymers (M = Fe(II) and Co(II); tvp = 1,2-di-(4-pyridyl)-ethylene)
1999
Abstract We report the synthesis and magnetic properties of two new coordination polymers of formula [M(tvp)(NCS)2] (M = Fe(II) and Co(II)). The magnetic data reveal the occurrence of metamagnetic behavior. Switching from bulk antiferromagnetic to ferromagnetic behavior occurs for magnetic fields greater than 1300 G (Fe(II)) and 450 G (Co(II)) at temperatures lower than 4 K. Both compounds are isomorphous. A molecular structure is suggested in the light of the magnetic properties and precedent data on related systems.
Pressure dependence in the methyl vinyl ketone + OH and methacrolein + OH oxidation reactions: an electronic structure study.
2005
High-level electronic structure calculations were carried out for the study of the reaction pathways in the OH-initiated oxidations of methyl vinyl ketone (MVK) and methacrolein (MACR). For the two conformers of MVK (called synperiplanar and antiperiplanar), the addition channels of OH to the terminal and central carbon atom of the double bond dominate the overall rate constant, whereas the abstraction of the methyl hydrogen atoms has no significant kinetic role. In the case of MACR, only the antiperiplanar conformer is important in its reactivity. In addition, the lower Gibbs free energy barrier for MACR corresponds to the aldehydic hydrogen abstraction reaction, which will be somewhat mor…
Neutron-scattering studies on CeM2Ge2(M=Ag, Au, and Ru)
1992
The results of elastic, quasielastic, and inelastic neutron-scattering studies on polycrystalline CeM 2 Ge 2 (M=Ag, Au, and Ru) are presented. All compounds reveal long-range magnetic order at low temperatures. Ferromagnetic (M=Ru), antiferromagnetic (M=Au), and incommensurate (M=Ag) structures were detected. Using time-of-flight (TOF) techniques, the crystalline electric-field splittings were determined. With high-resolution TOF experiments the temperature and wave-vector dependence of the magnetic relaxation rate was studied
Spin state switching in iron coordination compounds
2013
The article deals with coordination compounds of iron(II) that may exhibit thermally induced spin transition, known as spin crossover, depending on the nature of the coordinating ligand sphere. Spin transition in such compounds also occurs under pressure and irradiation with light. The spin states involved have different magnetic and optical properties suitable for their detection and characterization. Spin crossover compounds, though known for more than eight decades, have become most attractive in recent years and are extensively studied by chemists and physicists. The switching properties make such materials potential candidates for practical applications in thermal and pressure sensors …
Chiral Molecular Magnets: Synthesis, Structure, and Magnetic Behavior of the Series [M(L-tart)] (M = MnII, FeII, CoII, NiII;L-tart = (2R,3R)-(+)-tart…
2006
A new series of layered magnets with the formula [M(L-tartrate)] (M = Mn(II), Co(II), Fe(II), Ni(II); L-tartrate = (2R,3R)-(+)-tartrate) has been prepared. All of these compounds are isostructural and crystallize in the chiral orthorhombic space group I222, as found by X-ray structure analysis. Their structure consists of a three-dimensional polymeric network in which each metal shows distorted octahedral coordination bound to four L-tartrate ligands, two of which chelate through an alcohol and a carboxylate group and the other two bind terminally through a monodentate carboxylate group. The chirality of the ligand imposes a Delta conformation on all metal centers. Magnetically, the paramag…