Physics – Condensed Matter – Materials Science
Scientific paper
2006-02-03
Physics
Condensed Matter
Materials Science
7 pages, 2 figures, 1 table; to appear on Surf. Sci
Scientific paper
10.1016/j.susc.2006.02.074
We performed first principles density functional calculations and simulations
of magic-size neutral NaCl nanocubes, and computed the the extraction of a Na
neutral corner atom after donating an electron. The atomic structure of the
resulting Na corner vacancy is presented.
Ceresoli Davide
Tosatti Erio
Zykova-Timan Tatyana
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