2023-11-162023-11-162018ROSA, A. L.; FRAUENHEIM, Th. Electronic structure of gadolinium complexes in ZnO in the GW approximation. Journal of Magnetism and Magnetic Materials, Amsterdam, v. 452, p. 35-39, 2018. DOI: 10.1016/j.jmmm.2017.12.031. Disponível em: https://www.sciencedirect.com/science/article/pii/S0304885317329499. Acesso em: 11 set. 2023.0304-8853e- 1873-4766https://www.sciencedirect.com/science/article/pii/S0304885317329499The role of intrinsic defects has been investigated to determine binding energies and the electronic structure of Gd complexes in ZnO. We use density-functional theory and the GW method to show that the presence of vacancies and interstitials affect the electronic structure of Gd doped ZnO. However, the strong localization of the Gd-f and d states suggest that carrier mediated ferromagnetism in this material may be difficult to achieve.engAcesso RestritoArtigo10.1016/j.jmmm.2017.12.031