Journal article

Ab-initio molecular dynamics studies of magnesium-doped sodium clusters

Structural, electronic, and vibrational properties of NanMg clusters (n = 6-9, 18) have been detd. using the Car-Parrinello method. We find that in the energetically preferred structures the magnesium impurity is never located at the center of the cluster. The validity of spherical jellium models and the effects of temp. are discussed. [on SciFinder (R)]


    • LCBC-ARTICLE-1992-004

    Record created on 2006-02-27, modified on 2017-05-12


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