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    Effects of trapping site on the spectroscopy of 1P1 excited group 12 metal atoms in rare gas matrices


    Lara-Moreno, M. and Alvarez-Hernandez, J. and Negrin-Yuvero, H. and McCaffrey, John G. and Rojas-Lorenzo, Germán (2019) Effects of trapping site on the spectroscopy of 1P1 excited group 12 metal atoms in rare gas matrices. Low Temperature Physics, 45 (697). ISSN 1063-777X

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    Abstract

    A molecular dynamics deposition model has been used to simulate the growth of rare gas matrices doped with atoms of the group 12 elements zinc, cadmium and mercury. This study investigates the sites occupied by Zn, Cd and Hg metal atoms when isolated in the solid rare gases. To probe the results, the resonance 1P1 1 S0 transitions of the matrix-isolated metal atoms were calculated and compared with the recorded spectra of the M/RG solids. The theoretical spectroscopy obtained in this work was generated using the molecular dynamics with quantum transitions method. In Ne matrices the metal atoms preferably occupy tetra- and hexa-vacancy sites while in the case of Xe matrices, only the single vacancy site is formed. For Ar and Kr matrices Zn but especially Cd can be trapped in tetra- and hexa-vacancy sites in addition to single-vacancy sites, while Hg atoms show exclusive occupancy in single vacancy sites.

    Item Type: Article
    Keywords: trapping site; spectroscopy; 1P1; 12 metal atoms; gas matrices;
    Academic Unit: Faculty of Science and Engineering > Chemistry
    Item ID: 13595
    Identification Number: https://doi.org/10.1063/1.5111289
    Depositing User: Dr. John McCaffrey
    Date Deposited: 20 Nov 2020 15:17
    Journal or Publication Title: Low Temperature Physics
    Publisher: AIP Publishing
    Refereed: Yes
    URI:

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