Issue 4, 2013

Formation of an oxygen vacancy-dinitrogen complex in nitrogen-doped hafnium oxide

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.

Graphical abstract: Formation of an oxygen vacancy-dinitrogen complex in nitrogen-doped hafnium oxide

Article information

Article type
Paper
Submitted
14 Oct 2012
Accepted
13 Feb 2013
First published
14 Feb 2013

J. Anal. At. Spectrom., 2013,28, 482-487

Formation of an oxygen vacancy-dinitrogen complex in nitrogen-doped hafnium oxide

M. Yang, J. Bae, C. Yang, A. Benayad and H. Baik, J. Anal. At. Spectrom., 2013, 28, 482 DOI: 10.1039/C3JA50034A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements