Detailed Atomistic Modeling of Si(110) Passivation by Atomic Layer Deposition of Al2O3
作者： Andrey A. Rybakov , Alexander V. Larin , Daniel P. Vercauteren , Georgy M. Zhidomirov
DOI: 10.1007/978-1-4899-7699-4_11
关键词:
摘要: Typical structural defects were studied theoretically in the course of O → Al atomic depositions on basic Si(110) surface. The determined by analyses band gap states and projected densities s- p-states after deposition aimed to form a Si(110)/SiOX/AlOY/γ-Al2O3 slab. extent passivation every step was scanning structure calculated using Density Functional Theory with periodic boundary conditions. optimized surface compared one Si(100) for which more information is available. Our modeling reproduces most features use trimethylaluminium or any other organic ligand as precursor along O2 plasma assisted layer (PA ALD) when ligands are completely oxidized so that their participation can be neglected already shown experimentally. final oxidation corresponds junction slab deposited over γ-Al2O3 fragment, whose super cell (SC) parameters have been selected lead minimum mismatch. Different examples either non-satisfactory accurate fragment (under two different forms) discussed aiming develop route understanding dominant defect types at interface. Such theoretical work should first elaboration computational tools silicon amorphous oxides. latter mainly formed conditions PA ALD depositions. list typical presented characterized density respective around gap.
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sci-hub.se 参考文章(87)
B. Hoex, J. Schmidt, R. Bock, P. P. Altermatt, M. C. M. van de Sanden, W. M. M. Kessels, Excellent passivation of highly doped p-type Si surfaces by the negative-charge-dielectric Al2O3 Applied Physics Letters. ,vol. 91, pp. 112107- ,(2007) , 10.1063/1.2784168
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
Chun-Chen Yeh, T. P. Ma, Nirmal Ramaswamy, Noel Rocklein, Dan Gealy, Thomas Graettinger, Kyu Min, Frenkel-Poole trap energy extraction of atomic layer deposited Al2O3 and HfxAlyO thin films Applied Physics Letters. ,vol. 91, pp. 113521- ,(2007) , 10.1063/1.2786021
R. D. Shannon, K. H. Gardner, R. H. Staley, G. Bergeret, P. Gallezot, A. Auroux, The nature of the nonframework aluminum species formed during the dehydroxylation of H-Y The Journal of Physical Chemistry. ,vol. 89, pp. 4778- 4788 ,(1985) , 10.1021/J100268A025
Takahiro Yamasaki, Koichi Kato, Tsuyoshi Uda, Oxidation of the Si(001) surface: lateral growth and formation of P(b0) centers. Physical Review Letters. ,vol. 91, pp. 146102- ,(2003) , 10.1103/PHYSREVLETT.91.146102
S. D. Elliott, G. Scarel, C. Wiemer, M. Fanciulli, G. Pavia, Ozone-Based Atomic Layer Deposition of Alumina from TMA: Growth, Morphology, and Reaction Mechanism Chemistry of Materials. ,vol. 18, pp. 3764- 3773 ,(2006) , 10.1021/CM0608903
W. E. Carlos, Paramagnetic centers at Si‐SiO2 interfaces in silicon‐on‐insulator films Applied Physics Letters. ,vol. 50, pp. 1450- 1452 ,(1987) , 10.1063/1.97798
P.C. Snijders, L.P.H. Jeurgens, W.G. Sloof, Structural ordering of ultra-thin, amorphous aluminium-oxide films Surface Science. ,vol. 589, pp. 98- 105 ,(2005) , 10.1016/J.SUSC.2005.05.051
J. D. Joannopoulos, Theory of fluctuations and localized states in amorphous tetrahedrally bounded solids Physical Review B. ,vol. 16, pp. 2764- 2774 ,(1977) , 10.1103/PHYSREVB.16.2764
R. M. Tromp, R. J. Hamers, J. E. Demuth, Si(001) Dimer Structure Observed with Scanning Tunneling Microscopy Physical Review Letters. ,vol. 55, pp. 1303- 1306 ,(1985) , 10.1103/PHYSREVLETT.55.1303