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   COLLOQUIUM OF THE LABORATORY FOR COMPUTER DESIGN OF MATERIALS        
                   School of Computational Sciences	
                           (CSI 898-Sec 001) 
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           Studies of Impurity Doped Simple Metal Clusters 
			  Tunna Baruah
             Center for Computational Materials Science, 
             Naval Research Laboratory, Washington D. C. 

      The simple metal clusters are aggregates of atoms 
of elements, which in their bulk phase exhibit free electron
like behavior.  An interesting feature of these clusters is that 
clusters of some specific sizes are more stable and  are called 
magic clusters.  We will discuss the effect of  introduction
of an impurity atom on the structure and stability of pure metal
clusters studied by density functional theory.  Also the relative 
stabilities of doped clusters across a series will be discussed in 
view of simple jellium description. The role of the impurity in the
reversal of  jellium levels will also be discussed. The results are 
compared with  available experimental results.

                         Monday , November 19, 2001
                                  4:30 pm
                        Room 206, Science & Tech. I

Refreshments will be served at 4:15 PM.
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Find the schedule at http://www.csi.gmu.edu/lcdm/seminar/schedule.html