# AB INITIO CALCULATION OF THE ELECTRONIC TRANSITIONS OF $Er^{3+}$ DOPED INTO GaN

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 Title: AB INITIO CALCULATION OF THE ELECTRONIC TRANSITIONS OF $Er^{3+}$ DOPED INTO GaN Creators: Yang, Yang; Pitzer, Russell M. Issue Date: 2004 Publisher: Ohio State University Abstract: As a potential application in optical communications, the $1.54 \mu$m photoluminescence ($^{4}I_{13/2} \rightarrow ^{4}I_{15/2}$ intra-4f shell emissions) of $Er^{3+}$ doped in the semiconductor GaN has been studied extensively since 1983. Few ab initio calculations touched this system before because of the difficulties dealing with the large number of electrons and the significant relativistic effects related to $Er^{3+}$. Based on relativistic effective core potentials, spin-orbit configuration interaction calculations have been performed on this system. The study of the wave function character and energy of both the ground and excited states of $ErN^{9-}_{4}$ plus the computation of the transition moments between the states gives a better understanding of the experimental results. Description: Author Institution: Department of Chemistry, The Ohio State University URI: http://hdl.handle.net/1811/21354 Other Identifiers: 2004-RJ-06