Picture of a black hole

Strathclyde Open Access research that creates ripples...

The Strathprints institutional repository is a digital archive of University of Strathclyde's Open Access research outputs. Strathprints provides access to thousands of research papers by University of Strathclyde researchers, including by Strathclyde physicists involved in observing gravitational waves and black hole mergers as part of the Laser Interferometer Gravitational-Wave Observatory (LIGO) - but also other internationally significant research from the Department of Physics. Discover why Strathclyde's physics research is making ripples...

Strathprints also exposes world leading research from the Faculties of Science, Engineering, Humanities & Social Sciences, and from the Strathclyde Business School.

Discover more...

Theoretical study of rare earth point defects in GaN

Sanna, Simone and Hourahine, Benjamin and Frauenheim, Thomas and Gerstmann, U. (2008) Theoretical study of rare earth point defects in GaN. Physica Status Solidi C, 5 (6). pp. 2358-2360. ISSN 1862-6351

Full text not available in this repository. (Request a copy from the Strathclyde author)

Abstract

The behavior of rare earth dopants in GaN was investigated by means of theoretical techniques. The Density Functional based Tight-Binding method (DFTB) has been extended to include orbital dependent potentials (LDA+U and SIC-like) in attempt to model. the 4f states of lanthanide impurities within a realistic crystal model. We present results of an investigation into the structural and and energetic Properties of rare earth (Eu, Er and Tm) point defects in GaN. Lanthanide ions (either isolated or complexed with GaN native defects) prefer the Ga-site. Among the investigated defects the REGa V-N pairs are the most promising candidates as luminescent centers, while, interstitial lauthanides are found not to be compatible with the observed luminescence. Differences in the behavior of the single lanthanide ions are explained in term of different 4f-shell occupation and ion size.