The Structure and Energetics of 3He and 4He Nanodroplets Doped with Alkaline Earth Atoms
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- 作者：Alberto Hernando ; Ricardo Mayol ; Martí ; Pi ; Manuel Barranco ; Francesco Ancilotto ; Oliver Bü ; nermann ; Frank Stienkemeier
- 刊名：Journal of Physical Chemistry A
- 出版年：2007
- 出版时间：August 9, 2007
- 年：2007
- 卷：111
- 期：31
- 页码：7303 - 7308
- 全文大小：162K
- 年卷期：v.111,no.31(August 9, 2007)
- ISSN：1520-5215
文摘
We present systematic results, based on density functional calculations, for the structure and energetics of3He and 4He nanodroplets doped with alkaline earth atoms. We predict that alkaline earth atoms from Mg toBa go to the center of 3He drops, whereas Ca, Sr, and Ba reside in a deep dimple at the surface of 4He drops,and Mg is at their center. For Ca and Sr, the structure of the dimples is shown to be very sensitive to theHe-alkaline earth pair potentials used in the calculations. The 5s5p 
5s2 transition of strontium atomsattached to helium nanodroplets of either isotope has been probed in absorption experiments. The spectrashow that strontium is solvated inside 3He nanodroplets, supporting the calculations. In the light of our findings,we emphasize the relevance of the heavier alkaline earth atoms for analyzing mixed 3He-4He nanodroplets,and in particular, we suggest their use to experimentally probe the 3He-4He interface.
5s2 transition of strontium atomsattached to helium nanodroplets of either isotope has been probed in absorption experiments. The spectrashow that strontium is solvated inside 3He nanodroplets, supporting the calculations. In the light of our findings,we emphasize the relevance of the heavier alkaline earth atoms for analyzing mixed 3He-4He nanodroplets,and in particular, we suggest their use to experimentally probe the 3He-4He interface.