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Many-Body electronic structure calculations of Eu doped ZnO

Materials Science 2016-03-23 v2

Abstract

The formation energies and electronic structure of europium doped zinc oxide has been determined using DFT and many-body GWGW methods. In the absence of intrisic defects we find that the europium-ff 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 fff-f transitions otherwise forbidden in atomic europium. This result coorroborates with recently observed photoluminescence in the visible red region [1].

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Cite

@article{arxiv.1501.05090,
  title  = {Many-Body electronic structure calculations of Eu doped ZnO},
  author = {M. Lorke and T. Frauenheim and A. L. da Rosa},
  journal= {arXiv preprint arXiv:1501.05090},
  year   = {2016}
}

Comments

9 pages, 13 Figures