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Lecture Karin Fink


28 July 2005 FWN-Building 5114.0004, Nijenborgh 4, 9747 AG, Groningen
Speaker: Prof. Dr. Karin Fink
Affiliation: Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, Germany
Title: Ab initio calculations on F centers and magnetic impurities in ZnO
Date: Thu Jul 28, 2005
Start: 16.00
Location: FWN-Building 5114.0004
Host: R. Broer
Telephone: +31 50 363 4374


Oxygen vacancies, so called F centers, and magnetic impurities (Mn, Co, or Ni ) in ZnO lead to materials with interesting optical or magnetic properties. Nanoparticles of both materials could be synthesized recently from molecular precursors by Polarz et al. 

To get insight into the optical and magnetic properties of those centers, we performed a series of ab initio cluster calculations (CASSCF, MCCEPA) for the ground state and the low-lying excited states of the F center and F+ center in ZnO and on clusters containing one and two magnetic centers, respectively.

Last modified:22 October 2012 2.30 p.m.