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

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, th...

Full description

Saved in:
Bibliographic Details
Published in:Low temperature physics (Woodbury, N.Y.) N.Y.), 2019-07, Vol.45 (7), p.697-706
Main Authors: Lara-Moreno, M., Alvarez-Hernández, J., Negrín-Yuvero, H., McCaffrey, J. G., Rojas-Lorenzo, G.
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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←1S0 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.
ISSN:1063-777X
1090-6517
DOI:10.1063/1.5111289