conference paper
Structural and electronic properties of oxygen vacancies in monoclinic HfO2
2007
We study structural and electronic properties of the oxygen vacancy in monoclinic HfO 2 for five different charge states. We use a hybrid density functional to accurately reproduce the experimental band gap. To compare with measured defect levels, we determine total-energy differences appropriate to the considered experiments. Our results show that the oxygen vacancy can consistently account for the defect levels observed in optical absorption, direct electron injection, and trap-assisted conduction experiments.
Loading...
Name
Broqvist_submit-full.pdf
Type
Main Document
Version
Accepted version
Access type
openaccess
License Condition
N/A
Size
128.88 KB
Format
Adobe PDF
Checksum (MD5)
1bdefdb27512f75779ae5ede64887535