Search results for "Valence"
showing 10 items of 2732 documents
In situ XAFS study of phase transitions and hydrogen intercalation in WO3-MoO3 system
1995
Abstract The WO 3 -MoO 3 system has several reconstructive and displacive phase transitions which can be induced by temperature and/or by change of stoichiometry or valence state of metal ions under hydrogen intercalation. We have studied in situ the local electronic and structural changes arising in WO 3 -MoO 3 system with hydrogen intercalation and temperature. In situ XAFS measurements at the Mo K and W L 3 edges in H y Mo x W 1− x O 3 compounds, performed at different hydrogen intercalation level and temperatures (from RT to 500°C), allowed us to determine the rearrangement in the first and second coordination shells of Mo and W cations during phase transitions. It was found that hydrog…
Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate
2016
The crystal structure of the first oligomeric cobalt dioxolene complex, Co3(3,5-DBSQ)2((t)BuCOO)4(NEt3)2, 1, where DBSQ is 3,5-di-tert-butyl-semiquinonate, has been studied at various temperatures between 20 and 200 K. Despite cobalt-dioxolene complexes being generally known for their extensive ability to exhibit valence tautomerism (VT), we show here that the molecular geometry of compound 1 is essentially unchanged over the full temperature range, indicating the complete absence of electron transfer between ligand and metal. Magnetic susceptibility measurements clearly support the lack of VT between 8 and 300 K. The crystal structure is also determined at elevated pressures in the range f…
Lattice dynamics of CuAlO2 under high pressure fromab initio calculations
2007
The density functional perturbation theory is employed to study the vibrational properties of CuAlO 2 under pressure. The calculations are preformed using the pseudopotential wave method and the local density approximation for the exchange-correlation (XC) potential. The d electrons of Cu are treated as valence states. We present the phonon dispersion curves. Our results are in good agreement with the available experimental Raman scattering experiments. Ab initio calculations show the presence of a dynamical instability, possibly related with the experimentally observed phase transition.
Effect of Variable Valence Ion Doping on the Dielectric Properties of BaTiO3–Based Materials
2014
Dielectric properties of BaTiO3, BaTiO3 + 0.1 wt.% Fe2O3 and BaTiO3 + 1 wt.% Fe2O3 ceramics were studied. The dielectric measurements were performed at the temperature ranging from 130 K to 500 K and at the frequency ranging from 0.1 Hz to 10 MHz. Phase transitions were also determined by a thermal analysis in a wide temperature range. Both thermal analysis and electrical characterization techniques show that the temperature of phase transition is shifted towards lower temperatures with increasing Fe2O3 content. The changes and diversity of the observed phase transition temperatures occurred as a consequence of the ion substitution. Such behaviour of the investigated polycrystalline materia…
The Phenomenological Movement: A Tradition without Method? Merleau-Ponty and Husserl
2002
Section I tries to analyze the ambivalence of Merleau-Ponty ‘s references to Husserl. On the one hand, they indicate a deconstruction of Husserl ‘s phenomenological method; on the other hand, there are attempts to “save” Husserl. Section II is a critical evaluation ofMerleau-Ponty ‘s account of the development ofHusserl ‘s phenomenology. Section III deals with his rejection of the reduction, the account of eidetic intuition, and intentionality. Section IV is an attempt to characterize the motives behind Merleau-Ponty ‘s disinterest in method.
Logics and operators
2003
Two connectives are of special interest in metalogical investigations — the connective of implication which is important due to its connections to the notion of inference, and the connective of equivalence. The latter connective expresses, in the material sense, the fact that two sentences have the same logical value while in the strict sense it expresses the fact that two sentences are interderivable on the basis of a given logic. The process of identification of equivalent sentences relative to theories of a logic C defines a class of abstract algebras. The members of the class are called Lindenbaum-Tarski algebras of the logic C. One may abstract from the origin of these algebras and exa…
Synthesis and Characterization of Highly Luminescent CdSe—Core CdS/Zn0.5Cd0.5S/ZnS Multishell Nanocrystals.
2005
We report on the preparation and structural characterization of CdSe nanocrystals, which are covered by a multishell structure from CdS and ZnS. By using the newly developed successive ion layer adhesion and reaction (SILAR) technique, we could gradually change the shell composition from CdS to ZnS in the radial direction. Because of the stepwise adjustment of the lattice parameters in the radial direction, the resulting nanocrystals show a high crystallinity and are almost perfectly spherical, as was investigated by X-ray diffraction and electron microscopy. Also, due to the radial increase of the respective valence- and conduction-band offsets, the nanocrystals are well electronically pas…
Full Configuration-Interaction Study on the Tetrahedral Li4 Cluster
2008
International audience; The Li4 cluster low lying electronic states were studied. In particular we investigated the tetrahedral geometry at full CI and coupled cluster level, with basis sets of increasing quality. The 5A2 electronic state, characterized by having all the valence electrons unpaired, forming a quite stable no-pair bonding state, was studied in greater detail. In order to compare the energies we also studied the Li4 rhombus singlet ground state. The ability of coupled cluster with perturbative triples to correctly reproduce energy levels in a quasi-degenerate system was validated with respect to the full CI.
Effects of one valence proton on seniority and angular momentum of neutrons in neutron-rich Sb51122–131 isotopes
2019
Background: Levels fulfilling the seniority scheme and relevant isomers are commonly observed features in semimagic nuclei; for example, in Sn isotopes (Z=50). Seniority isomers in Sn, with dominantly pure neutron configurations, directly probe the underlying neutron-neutron (νν) interaction. Furthermore, an addition of a valence proton particle or hole, through neutron-proton (νπ) interaction, affects the neutron seniority as well as the angular momentum. Purpose: Benchmark the reproducibility of the experimental observables, like the excitation energies (EX) and the reduced electric-quadrupole transition probabilities [B(E2)], with the results obtained from shell-model interactions for ne…
Examining the N=28 shell closure through high-precision mass measurements of Ar46–48
2020
The strength of the $N=28$ magic number in neutron-rich argon isotopes is examined through high-precision mass measurements of $^{46\text{--}48}\mathrm{Ar}$, performed with the ISOLTRAP mass spectrometer at ISOLDE/CERN. The new mass values are up to 90 times more precise than previous measurements. While they suggest the persistence of the $N=28$ shell closure for argon, we show that this conclusion has to be nuanced in light of the wealth of spectroscopic data and theoretical investigations performed with the SDPF-U phenomenological shell model interaction. Our results are also compared with ab initio calculations using the valence space in-medium similarity renormalization group and the s…