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
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: |
|
| 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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