Many-body electronic structure calculations of Eu-doped ZnO
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2016
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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
corroborates with recently observed photoluminescence in the visible red region S. Geburt et al. [Nano Lett. 14,
4523 (2014)].
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LORKE, M.; FRAUENHEIM, T.; ROSA, A. L. da. Many-body electronic structure calculations of Eu-doped ZnO. Physical Review B, Washington, v. 93, n. 11, e115132, 2016. DOI: 10.1103/PhysRevB.93.115132. Disponível em: https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.115132. Acesso em: 11 set. 2023.