6533b7dcfe1ef96bd127173e
RESEARCH PRODUCT
Mg impurity in helium droplets.
David MateoJesús NavarroManuel BarrancoAntonio Sarsasubject
Materials scienceAbsorption spectroscopyMagnesiumDopingAnalytical chemistryGeneral Physics and Astronomychemistry.chemical_elementFísicaFOS: Physical sciencesSurface tensionCondensed Matter - Other Condensed MatterchemistryImpurityAtomPhysics::Atomic and Molecular ClustersDiffusion Monte CarloPhysics::Atomic PhysicsPhysics - Atomic and Molecular ClustersPhysical and Theoretical ChemistryAtomic and Molecular Clusters (physics.atm-clus)HeliumOther Condensed Matter (cond-mat.other)description
Within the diffusion Monte Carlo approach, we have determined the structure of isotopically pure and mixed helium droplets doped with one magnesium atom. For pure 4He clusters, our results confirm those of M. Mella et al. [J. Chem. Phys. 123, 054328 (2005)] that the impurity experiences a transition from a surface to a bulk location as the number of helium atoms in the droplet increases. Contrarily, for pure 3He clusters Mg resides in the bulk of the droplet due to the smaller surface tension of this isotope. Results for mixed droplets are presented. We have also obtained the absorption spectrum of Mg around the 3s3p 1P_1 <-- 3s2 1S_0 transition.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2011-12-20 | The Journal of chemical physics |