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
Abstract
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: |
https://doi.org/10.1063/1.5111294 |
| Depositing User: |
Dr. John McCaffrey
|
| Date Deposited: |
20 Nov 2020 15:14 |
| Journal or Publication Title: |
Low Temperature Physics |
| Publisher: |
AIP Publishing |
| Refereed: |
Yes |
| URI: |
|
| 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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