Effect of reaction mechanism on precursor exposure time in atomic layer deposition of silicon oxide and silicon nitride

ACS Applied Materials and Interfaces

Volumn 6, Issue 13, 2014, Pages 10534-10541

  Murray, Ciaran A ^a   Elliott, Simon D ^a   Hausmann, Dennis ^b   Henri, Jon ^b   Lavoie, Adrien ^b  

^a UNIVERSITY COLLEGE CORK   (Ireland)

^b LAM RESEARCH CORPORATION   (United States)

Author keywords

atomic layer deposition; DFT; mechanisms; silicon nitride; silicon oxide

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; DEPOSITION; DIELECTRIC FILMS; EXPERIMENTS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; FUNCTIONAL GROUPS; MECHANISMS; MICROELECTRONICS; SILICON NITRIDE; SILICON OXIDES; SURFACE REACTIONS;

DFT; DIELECTRIC THIN FILMS; MICRO-ELECTRONIC DEVICES; SILICON NITRIDE FILM; SILICON PRECURSORS; SURFACE REACTION MECHANISM; THEORETICAL CALCULATIONS; THERMODYNAMIC ENERGY;

ATOMIC LAYER DEPOSITION;

EID: 84904109817     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/am5021167     Document Type: Article

References (18)

1. Koehler, F.; Triyoso, D. H.; Hussain, I.; Mutas, S.; Bernhardt, H. Atomic Layer Deposition of SiN for Spacer Applications in High-End Logic Devices IOP Conf. Ser.: Mater. Sci. Eng. 2012, 41 (1) 012006
2. Triyoso, D. H.; Jaschke, V.; Shu, J.; Mutas, S.; Hempel, K.; Schaeffer, J. K.; Lenski, M. In Robust PEALD SiN spacer for gate first high-k metal gate integration, IC Design & Technology (ICICDT), 2012 IEEE International Conference on, May 30 2012-June 1 2012; 2012; pp 1-4.
3. 3 as the Catalyst J. Electrochem. Soc. 2004, 151 (8) G528-G535
4. Bachmann, J.; Zierold, R.; Chong, Y. T.; Hauert, R.; Sturm, C.; Schmidt-Grund, R.; Rheinländer, B.; Grundmann, M.; Gösele, U.; Nielsch, K. A Practical, Self-Catalytic, Atomic Layer Deposition of Silicon Dioxide Angew. Chem., Int. Ed. 2008, 47 (33) 6177-6179
5. Elliott, S. D.; Scarel, G.; Wiemer, C.; Fanciulli, M.; Pavia, G. Ozone-Based Atomic Layer Deposition of Alumina from TMA: Growth, Morphology, and Reaction Mechanism Chem. Mater. 2006, 18 (16) 3764-3773
6. Ahlrichs, R.; Bär, M.; Häser, M.; Horn, H.; Kölmel, C. Electronic Structure Calculations on Workstation Computers: The Program System Turbomole Chem. Phys. Lett. 1989, 162 (3) 165-169
7. TURBOMOLE V6.1; a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007; TURBOMOLE GmbH: Karlsruhe, Germany, 2009.
8. Becke, A. D. Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior Phys. Rev. A 1988, 38 (6) 3098
9. Perdew, J. P. Density-Functional Approximation for the Correlation Energy of the Inhomogeneous Electron Gas Phys. Rev. B 1986, 33 (12) 8822
10. Eichkorn, K.; Treutler, O.; Öhm, H.; Häser, M.; Ahlrichs, R. Auxiliary Basis Sets to Approximate Coulomb Potentials (Chem. Phys. Letters 240 (1995) 283) Chem. Phys. Lett. 1995, 242 (6) 652-660
11. Eichkorn, K.; Weigend, F.; Treutler, O.; Ahlrichs, R. Auxiliary Basis Sets for Main Row Atoms and Transition Metals and their use to Approximate Coulomb Potentials Theor. Chem. Acc. 1997, 97 (1) 119-124
12. Sierka, M.; Hogekamp, A.; Ahlrichs, R. Fast Evaluation of the Coulomb Potential for Electron Densities Using Multipole Accelerated Resolution of Identity Approximation J. Chem. Phys. 2003, 118 (20) 9136-9148
13. Schäfer, A.; Horn, H.; Ahlrichs, R. Fully Optimized Contracted Gaussian Basis Sets for Atoms Li to Kr J. Chem. Phys. 1992, 97 (4) 2571-2577
14. Weigend, F.; Ahlrichs, R. Balanced Basis Sets of Split Valence, Triple Zeta Valence and Quadruple Zeta Valence Quality for H to Rn: Design and Assessment of Accuracy Phys. Chem. Chem. Phys. 2005, 7 (18) 3297-3305
15. Murray, C.; Elliott, S. D. Density Functional Theory Predictions of the Composition of Atomic Layer Deposition-Grown Ternary Oxides ACS Appl. Mater. Interfaces 2013, 5 (9) 3704-3715
16. Helgaker, T. Transition-State Optimizations by Trust-Region Image Minimization Chem. Phys. Lett. 1991, 182 (5) 503-510
17. ONeill, M. L.; Bowen, H. R.; Derecskei-Kovacs, A.; Cuthill, K. S.; Han, B.; Xiao, M. Impact of Aminosilane Precursor Structure on Silicon Oxides by Atomic Layer Deposition Electrochem. Soc. Interface 2011, 20 (4) 33
18. 4 Acta Crystallogr., Sect. B 1979, 35 (4) 800-804