A Unifying perspective on oxygen vacancies

Point defects are crucial for the electrical and optical properties, and ultimately the functionality of semiconductors and insulators. In oxides, the arguably most important defect is the oxygen vacancy. In a paper that just appeared in The Journal of Physical Chemistry Letters, we were able to demonstrate that this very important defect exhibits a number of features and trends that are universal across a large number of oxides. Our results are not only of fundamental interest but enable one to extrapolate and anticipate the behavior for other, possibly more complex, oxides, in particular in combination with machine learning models.

image-left

Updated: