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    The role of spin-orbit coupling in the optical spectroscopy of atomic sodium isolated in solid xenon

    de Pujo, P. and Ryan, M. and Crepin, Claudine and Mestdagh, J.M. and McCaffrey, John G. (2019) The role of spin-orbit coupling in the optical spectroscopy of atomic sodium isolated in solid xenon. Low Temperature Physics, 45 (715). ISSN 1063-777X

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    Molecular dynamics calculations, based on the diatomics-in-molecules method, have been used to probe the manifestations of spin-orbit (SO) coupling in the experimental absorption bands of atomic sodium isolated in solid xenon. Inclusion of SO coupling of –320 cm−1 in spectral simulations of the 3p 2P 3s 2S transition leads to unequal band spacings which very closely match the asymmetrical bandshape observed for blue single vacancy (SV) site occupancy. This SO value, extracted in a previous MCD study, reveals the dramatic change in the effective SO coupling constant of the Na atom (from the gas phase value of +17 cm−1 ) in solid Xe when it is close to the 12 xenon atoms in the first surrounding sphere. In contrast, the symmetrical three-fold split band of the red tetra vacancy (TV) site in Na/Xe is not affected nearly as much by SO coupling. This reflects a greatly reduced “external heavy atom” effect when the 24 Xe atoms surrounding the Na atom in TV are located at greater distances. The contrasting behavior of sodium in the SV and TV sites suggests a strong dependence of the SO coupling strength on the Na–Xe distance.

    Item Type: Article
    Keywords: spin-orbit coupling; optical spectroscopy; atomic sodium; solid xenon;
    Academic Unit: Faculty of Science and Engineering > Chemistry
    Item ID: 13594
    Identification Number:
    Depositing User: Dr. John McCaffrey
    Date Deposited: 20 Nov 2020 15:14
    Journal or Publication Title: Low Temperature Physics
    Publisher: AIP Publishing
    Refereed: Yes
    Use Licence: This item is available under a Creative Commons Attribution Non Commercial Share Alike Licence (CC BY-NC-SA). Details of this licence are available here

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