Study of the Surface Reactions in ALD Hafnium Aluminates
作者： L. Nyns , A. Delabie , G. Pourtois , S. Van Elshocht , C. Vinckier
DOI: 10.1149/1.3246802
关键词: Density functional theory 、 Thin film 、 Chemistry 、 Inorganic chemistry 、 Oxide 、 Reaction mechanism 、 Deposition (law) 、 Atomic layer deposition 、 Hafnium 、 Chemisorption
摘要: Hafnium aluminates have been investigated as high-κ dielectrics for implementation in sub-45 nm nonvolatile memory technologies. The growth behavior and quality of these strongly depend on the applied deposition technique. We examine surface reactions that occur during atomic layer (ALD) hafnium from HfCl 4 , Al(CH 3 ) H 2 O. When grown ALD sequence (HfCl /H O) a [Al(CH )/H O] b chemisorption is enhanced while inhibited compared to reaction respective binary oxides. Density functional theory simulations suggest this observation related more efficient hydrolysis Al-C bond Hf―Cl. However, earlier works O low per cycle process not caused by limited Hf―Cl but dehydroxylation generated Hf-OH sites into less reactive Hf―O―Hf sites. Hence, we propose results difference between both
core.ac.uk
sci-hub.se 参考文章(35)
Christopher J. Cramer, Essentials of Computational Chemistry: Theories and Models ,(2002)
Pan Kwi Park, Sang-Won Kang, Enhancement of dielectric constant in HfO2 thin films by the addition of Al2O3 Applied Physics Letters. ,vol. 89, pp. 192905- ,(2006) , 10.1063/1.2387126
L. Jeloaica, A. Estève, M. Djafari Rouhani, D. Estève, Density functional theory study of HfCl4,ZrCl4, and Al(CH3)3 decomposition on hydroxylated SiO2: Initial stage of high-k atomic layer deposition Applied Physics Letters. ,vol. 83, pp. 542- 544 ,(2003) , 10.1063/1.1587261
H. Y. Yu, M. F. Li, B. J. Cho, C. C. Yeo, M. S. Joo, D.-L. Kwong, J. S. Pan, C. H. Ang, J. Z. Zheng, S. Ramanathan, Energy gap and band alignment for (HfO2)x(Al2O3)1−x on (100) Si Applied Physics Letters. ,vol. 81, pp. 376- 378 ,(2002) , 10.1063/1.1492024
P. Jeffrey Hay, Willard R. Wadt, Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals Journal of Chemical Physics. ,vol. 82, pp. 299- 310 ,(1985) , 10.1063/1.448975
Antti Rahtu, Teemu Alaranta, Mikko Ritala, In Situ Quartz Crystal Microbalance and Quadrupole Mass Spectrometry Studies of Atomic Layer Deposition of Aluminum Oxide from Trimethylaluminum and Water Langmuir. ,vol. 17, pp. 6506- 6509 ,(2001) , 10.1021/LA010103A
Yuniarto Widjaja, Charles B. Musgrave, Atomic layer deposition of hafnium oxide: A detailed reaction mechanism from first principles Journal of Chemical Physics. ,vol. 117, pp. 1931- 1934 ,(2002) , 10.1063/1.1495847
A.B. Mukhopadhyay, Charles B. Musgrave, Non-growth ligand exchange reactions in atomic layer deposition of HfO2 Chemical Physics Letters. ,vol. 421, pp. 215- 220 ,(2006) , 10.1016/J.CPLETT.2006.01.057
C. Wiemer, M. Fanciulli, B. Crivelli, G. Pavia, M. Alessandri, Evolution of crystallographic ordering in Hf1-xAlxOy high-κ dielectric deposited by atomic layer deposition Applied Physics Letters. ,vol. 83, pp. 5271- 5273 ,(2003) , 10.1063/1.1635962
Joseph H. Han, Guilian Gao, Yuniarto Widjaja, Eric Garfunkel, Charles B. Musgrave, A quantum chemical study of ZrO2 atomic layer deposition growth reactions on the SiO2 surface Surface Science. ,vol. 550, pp. 199- 212 ,(2004) , 10.1016/J.SUSC.2003.12.030