Journal article
M. Lorke, T. Frauenheim, A. L. Rosa
2015
2015
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APA
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Lorke, M., Frauenheim, T., & Rosa, A. L. (2015). Many-Body electronic structure calculations of Eu doped ZnO.
Chicago/Turabian
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Lorke, M., T. Frauenheim, and A. L. Rosa. “Many-Body Electronic Structure Calculations of Eu Doped ZnO” (2015).
MLA
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Lorke, M., et al. Many-Body Electronic Structure Calculations of Eu Doped ZnO. 2015.
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@article{m2015a,
title = {Many-Body electronic structure calculations of Eu doped ZnO},
year = {2015},
author = {Lorke, M. and Frauenheim, T. and Rosa, A. L.}
}
Abstract
The formation energies and electronic structure of europium-doped zinc oxide has been determined using DFT and many-body $GW$ methods. In the absence of intrisic defects, we find that the europium-$f$ states are located in the ZnO band gap with europium possessing a formal charge of 2+. On the other hand, the presence of intrinsic defects in ZnO allows intraband $f\text{\ensuremath{-}}f$ transitions otherwise forbidden in atomic europium. This result corroborates with recently observed photoluminescence in the visible red region S. Geburt et al. [Nano Lett. 14, 4523 (2014)].
