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arXiv · 1709.09967

Electronic structure of gadolinium complexes in ZnO in the GW approximation

A. L. Rosa·Th. Frauenheim
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Abstract

The 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.

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A. L. Rosa, Th. Frauenheim. 2017-09-28. Electronic structure of gadolinium complexes in ZnO in the GW approximation. https://doi.org/10.1016/j.jmmm.2017.12.031

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