Abstract
Nitrogen in a thin HfO2−xNx layer was observed in the form of dinitrogen molecules by atom probe microscope measurements. To evaluate the chemical state, an ab initio calculation based on monoclinic HfO2 was performed with using oxygen vacancy models combined with interstitial or substitutional nitrogen. The formation of a hafnium dinitrogen complex near the oxygen vacancy was found to considerably lower the system energy. This result contrasts the substitutional nitrogen complex passivating the oxygen vacancy level in the cubic structure and suggests that the structural stability enhanced by the oxygen vacancy-dinitrogen complex restrains the formation of grain boundaries in amorphous HfO2, which are responsible for the large leakage current.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.