التفاصيل البيبلوغرافية
| العنوان: |
Atomic layer deposition of hafnium oxide: A detailed reaction mechanism from first principles. |
| المؤلفون: |
Widjaja, Yuniarto, Musgrave, Charles B. |
| المصدر: |
Journal of Chemical Physics; 8/1/2002, Vol. 117 Issue 5, p1931, 4p, 1 Diagram, 2 Charts, 2 Graphs |
| مصطلحات موضوعية: |
HAFNIUM oxide, MOLECULAR dynamics, PHYSICS |
| مستخلص: |
Atomic layer deposition (ALD) of hafnium oxide (HfO[sub 2]) using HfCl[sub 4] and H[sub 2]O as precursors is studied using density functional theory. The mechanism consists of two deposition half-reactions: (1) HfCl[sub 4] with Hf-OH sites, and (2) H[sub 2]O with Hf-Cl sites. Both half-reactions exhibit stable intermediates with energies lower than those of the final products. We show that increasing the temperature reduces the stability of the complex. However, increasing temperature also increases the dissociation free-energy barrier, which in turn results in increased desorption of adsorbed precursors. Both half-reactions are qualitatively similar to the corresponding reactions of ZrO[sub 2] ALD using ZrCl[sub 4] and H[sub 2]O. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
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