Effective-Hamiltonian parameters for \emph{ab initio} energy-level calculations of SrCl2_{2}:Yb2+^{2+} and CsCaBr3_{3}:Yb2+^{2+}

Calculated energy levels from recent \emph{ab initio} studies of the electronic structure of SrCl$_{2}$:Yb$^{2+}$ and CsCaBr$_{3}$:Yb$^{2+}$ are fitted with a semi-empirical "crystal-field" Hamiltonian, which acts within the model space $4f^{14} + 4f^{13}5d + 4f^{13}6s$. Parameters are obtained for the minima of the potential-energy curves for each energy level and also for a range of anion-cation separations. The parameters are compared with published results parameters fitted to experimental data and to atomic calculations. The states with significant $4f^{13}6s$ character give a good approximation of the impurity-trapped exciton states that appear in the \emph{ab initio} calculations.Comment: Minor revisio

Cytogenetic evidences on the evolutionary relationships between the tetraploids of the section Rhizomatosae and related diploid species (Arachis, Leguminosae).

Made available in DSpace on 2018-08-10T00:41:31Z (GMT). No. of bitstreams: 1 Ortiz2017ArticleCytogeneticEvidencesOnTheEvolu.pdf: 1816719 bytes, checksum: fbb7f89bca811a5e4ba5a2d9061e1341 (MD5) Previous issue date: 2017-07-27bitstream/item/181202/1/Ortiz2017-Article-CytogeneticEvidencesOnTheEvolu.pd

Preliminary Experience With the Use of Electromagnetic Navigation for the Diagnosis of Peripheral Pulmonary Nodules and Enlarged Mediastinal Lymph Nodes

Electromagnetic navigation is a new technique that can be used with bronchoscopy to obtain samples of small peripheral nodular lesions and enlarged mediastinal lymph nodes. It is very versatile in that it enables both transbronchial biopsies and fine-needle aspiration to be performed. We describe 2 cases in which navigation with the superDimension/ Bronchus system combined with traditional diagnostic techniques facilitated a definitive diagnosis by bronchoscopy. Electromagnetic navigation can obviate the need for more invasive diagnostic procedures such as surgery, thus saving time and money and avoiding complications

Metal-to-metal charge transfer between dopant and host ions: Photoconductivity of Yb-doped CaF2 and SrF2 crystals

Dopant-to-host electron transfer is calculated using ab initio wavefunction-based embedded cluster methods for Yb/Ca pairs in CaF2 and Yb/Sr pairs in SrF2 crystals to investigate the mechanism of photoconductivity. The results show that, in these crystals, dopant-to-host electron transfer is a two-photon process mediated by the 4fN-15d excited states of Y b2+: these are reached by the first photon excitation; then, they absorb the second photon, which provokes the Y b2+ + Ca2+ (Sr2+) → Y b3+ + Ca+ (Sr+) electron phototransfer. This mechanism applies to all the observed Y b2+ 4f-5d absorption bands with the exception of the first one: Electron transfer cannot occur at the first band wavelengths in CaF2:Y b2+ because the Y b3+-Ca+ states are not reached by the two-photon absorption. In contrast, Yb-to-host electron transfer is possible in SrF2:Y b2+ at the wavelengths of the first 4f-5d absorption band, but the mechanism is different from that described above: first, the two-photon excitation process occurs within the Y b2+ active center, then, non-radiative Yb-to-Sr electron transfer can occur. All of these features allow to interpret consistently available photoconductivity experiments in these materials, including the modulation of the photoconductivity by the absorption spectrum, the differences in photoconductivity thresholds observed in both hosts, and the peculiar photosensitivity observed in the SrF2 host, associated with the lowest 4f-5d bandThis work was partly supported by a grant from Ministerio de Economía y Competitividad, Spain (Dirección General de Investigación y Gestión del Plan Nacional de I+D+i, Grant Nos. MAT2011-24586 and MAT2014-54395-P

Yb2+-doped SrCl2: electronic structure of impurity states and impurity-trapped excitons

First-principles electronic structure calculations of the excited states of Yb2+-doped Sr Cl2 crystals up to 65 000 cm-1 reveal the existence of unexpected excited states with double-well potential energy surfaces and dual electronic structure lying above and very close in energy to the 4f 135d  manifold, with which they interact strongly through spin-orbit coupling. The double-well energy curves result from avoided crossings between Yb-trapped exciton states (more stable at short Yb–Cl distances) and 4f 136s impurity states (more stable at long Yb–Cl distances); the former are found to be preionization states in which the impurity holds the excited electron in close lying empty interstitials located outside the YbCl8 moiety. Spin-orbit coupling between the double-well states and the lower lying 4f 135d  impurity states spreads the dual electronic structure character to lower energies and, hence, the instability of the divalent oxidation state is also spread. To some extent, the dual electronic structure (impurity-trapped exciton–impurity state) of some excited states expresses and gives support to hypotheses of interaction between Yb2+ and Yb3+ pairs proposed to understand the complex spectroscopy of the material and conciliates these hypotheses with interpretations in terms of the existence of only one type of Yb2+ defect. The results presented confirm the presence of impurity states of the 4f 136s configuration among the 4f 135d manifolds, as proposed in literature, but their energies are very different from those assumed. The Yb-trapped excitons found in this chloride host can be seen as precursors of the luminescent Yb-trapped excitons characterized experimentally in the isomorphous SrF2 crystals

Sida cabreriana Krapov.

Ruta prov. 56. Cuesta de las Lajitas, 12 a 14 km SW de La Mendieta.publishedVersio