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        COLLOQUIUM OF THE COMPUTATIONAL MATERIALS SCIENCE CENTER
                   School of Computational Sciences
                           (CSI 898-Sec 001)
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         Calculations of Magnetism in Gold Nano-clusters 

                           Rudy J. Magyarz
               Physical and Chemical Properties Division 
            National Institute of Standards and Technology
                        Gaithersburg MD. 20899

Intrinsic magnetism in thiolated and unthiolated gold nano-clusters is
explored from a first-principles perspective. The computed electronic structures 
elucidate the relevant mechanism whereby these nano-clusters develop a
permanent magnetic moment. Polarized ground states are favorable due to surface 
paramagnetism, and bare clusters are expected to be magnetic for Au38 and 
larger. How the thiolates effect the magnetic moment is also considered.

                        April 10, 4:30 pm
               Room 206, Science & Tech. I, Fairfax Campus

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