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ics Colloquium
Friday, April 25, 2008
4:00 PM
Physics Building, Room 204
Note special time.
Kyungwha Park [Host: Keith Williams]
Virginia Tech
"Interaction between a molecular magnet monolayer and a metallic surface"
 Slideshow (PDF)
Over the past decade, molecular magnets or single-molecule magnets have drawn considerable attention due to observed magnetic quantum tunneling and interference and a possibility of using them for information storage or devices. There have been so far significant efforts to build and characterize thin films or monolayers of single-molecule magnets on surfaces or single-molecule magnets bridged between electrodes. However, there is need to understand changes of the properties of single-molecule magnets in those environments using atomic-scale simulations. In this regard, we simulate, within density-functional theory, a nanostructure in which prototype Mn12 molecules are adsorbed via a thiol group onto a gold surface. Based on a supercell calculation, we investigate how much charge and spin are transferred between a Mn12 molecule and the metal surface. In addition, we compare the electronic structure and magnetic properties of the nanostructure with those of an isolated Mn12 molecule in the absence and presence of spin-orbit interaction.

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