Hafnium 4f Core-level Shifts Caused by Nitrogen Incorporation in Hf-based High-$k$ Gate Dielectrics
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概要
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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.
- 2007-06-15
著者
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Umezawa Naoto
National Inst. For Materials Sci. Ibaraki Jpn
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Ohno Takahisa
National Institute For Materials Science
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Nara Yasuo
Semiconductor Leading Edge Technologies Inc.
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Yamada Keisaku
Nanotechnology Research Laboratories Waseda University
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Chikyow Toyohiro
National Inst. Materials Sci. Ibaraki Jpn
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Shiraishi Kenji
Institute Of Physics University Of Tsukuba
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Yamada Keisaku
Nanotechnology Research Laboratories, Waseda University, Tokyo 169-0041, Japan
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Chikyow Toyohiro
National Institute for Materials Science, Tsukuba, Ibaraki 305-0044, Japan
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Umezawa Naoto
National Institute for Materials Science, Tsukuba, Ibaraki 305-0044, Japan
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Miyazaki Seiichi
Grauate School of Advanced Sciences of Matter, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8530, Japan
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Ohno Takahisa
National Institute for Materials Science, Tsukuba, Ibaraki 305-0044, Japan
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Shiraishi Kenji
Institute of Physics, University of Tsukuba, Tsukuba, Ibaraki 305-8571, Japan
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