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arXiv · 1501.05090

Many-Body electronic structure calculations of Eu doped ZnO

M. Lorke·T. Frauenheim·A. L. da Rosa
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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 $f-f$ transitions otherwise forbidden in atomic europium. This result coorroborates with recently observed photoluminescence in the visible red region [1].

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M. Lorke, T. Frauenheim, A. L. da Rosa. 2015-01-21. Many-Body electronic structure calculations of Eu doped ZnO. https://doi.org/10.1103/physrevb.93.115132

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