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Jpn. J. Appl. Phys. 46 (2007) pp. 3507-3509  |Previous Article| |Next Article|  |Table of Contents|
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Brief Communication

Hafnium 4f Core-level Shifts Caused by Nitrogen Incorporation in Hf-based High-k Gate Dielectrics

Naoto Umezawa1, Kenji Shiraishi2,1, Seiichi Miyazaki3, Takahisa Ohno1, Toyohiro Chikyow1, Keisaku Yamada4,1, and Yasuo Nara5

1National Institute for Materials Science, Tsukuba, Ibaraki 305-0044, Japan
2Institute of Physics, University of Tsukuba, Tsukuba, Ibaraki 305-8571, Japan
3Grauate School of Advanced Sciences of Matter, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8530, Japan
4Nanotechnology Research Laboratories, Waseda University, Tokyo 169-0041, Japan
5Semiconductor Leading Edge Technology Inc., Tsukuba, Ibaraki 305-8569, Japan

(Received September 19, 2006; accepted February 21, 2007; published online June 6, 2007)

Hafnium (Hf) 4f core-level binding energy shifts caused by Hf–N bond formation in hafnium oxynitride (HfOxNy) have been studied by first-principles calculations. Our computational results clearly showed that the Hf 4f core-level binding energies are reduced by 0.36 and 0.65 eV for Hf–N and N–Hf–N bond formation, respectively. These results are in good agreement with chemical shifts observed in the X-ray photoelectron spectroscopy (XPS) of HfOxNy films deposited on a Si(100) substrate. In the present work, we demonstrate that the first-principles calculation is a useful tool to clarify chemical environments of Hf-based high-k gate dielectrics.

URL: http://jjap.jsap.jp/link?JJAP/46/3507/
DOI: 10.1143/JJAP.46.3507


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