Hostname: page-component-78c5997874-fbnjt Total loading time: 0 Render date: 2024-11-05T01:44:17.705Z Has data issue: false hasContentIssue false
  • English
  • Français

Development of a Suite of Computational Models for the Design of Ultralow-k SiCOH-based Materials

Published online by Cambridge University Press:  30 July 2012

Alexandra Cooper  and
Paulette Clancy
Alexandra Cooper
Affiliation:
School of Chemical and Biomolecular Engineering, Olin Hall, Cornell University, Ithaca, NY 14853
Paulette Clancy
Affiliation:
School of Chemical and Biomolecular Engineering, Olin Hall, Cornell University, Ithaca, NY 14853
Get access

Abstract

A computational model of amorphous SiCOH materials is described that will facilitate studies of SiCOH behavior under different thermal and mechanical stresses. This involved developing an atomic-scale model of an SiCOH thin film, which exhibited structural, mechanical and electrical properties in agreement with experimental studies. We developed a unique process for computationally creating the structure of SiCOH films. We created an algorithm for introducing and estimating porosity in the system, which provides detailed information about the system’s pore size distribution on multiple length scales. We used Density Functional Theory (DFT) to develop a simple correlation that calculates the dielectric constant of a large SiCOH structure based only on its atomic composition and volume. Finally, we confirmed the mechanical properties of the model using established Molecular Dynamics techniques. We verified that essential electronic and mechanical properties of the model structure reproduce experimental data for a representative SiCOH material within acceptable accuracy. We find the mechanical properties are significantly weakened by the presence of pendant carbon groups.

Keywords

simulationamorphousnanostructure
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1428: Symposium C – “Interconnect Challenges for CMOS Technology--Materials, Processes and Reliability for Downscaling, Packaging and 3D Stacking” , 2012 , mrss12-1428-c01-11
Copyright
Copyright © Materials Research Society 2012

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Miller, R. D., “In Search of Low-k Dielectrics,” Science, vol. 286, no. 5439, pp. 421–423, 15 October 1999.Google Scholar
2. Volksen, W., Miller, R. D. and Dubois, G., “Low Dielectric Constant Materials,” Chemical Reviews, vol. 110, no. 1, pp. 77–80, 2010.Google Scholar
3. Plimpton, S. J., “Fast parallel Algorithms for Short-Range Molecular Dynamics,”J Comp Phys, vol. 117, pp. 1–19, 1995.Google Scholar
4. Frisch, M. J., et al. “Gaussian 09, Revision A.1,” Wallingford CT, 2009.Google Scholar
5. Becke, A. D., “Density-functional thermochemistry. III. The role of exact exchange.,” Journal of Chemical Physics, vol. 98, pp. 5648–5652, 1993.Google Scholar
6. Yuan, C. A., van der Sluis, O., Zhang, G. Q., Ernst, L. J., van Driel, W. D., van Silfhout, R. B. and Thijsse, B. J., “Chemical-mechanical relationship of amorphous/porous low-dielectric film materials,” Computational Materials Science, vol. 42, pp. 606–613, 2008.Google Scholar
7. Oliver, M. S., Dubois, G., Sherwood, M., Gage, D. M. and Dauskardt, R. H., “Molecular Origins of the Mechanical Behavior of Hybrid Glasses,” Advanced Functional Materials, vol. 20, pp. 2884–2892, 2010.Google Scholar
8. Grill, A. and Neumayer, D. A., “Structure of low dielectric constant to extreme low dielectric constant SiCOH films: Fourier transform infrared spectroscopy characterization,” Journal of Applied Physics, vol. 94, no. 10, pp. 6697–6707, 15 November 2003.Google Scholar
9. Grill, A., Patel, V., Rodbell, K. P., Huang, E., Baklanov, M. R., Mogilnikov, K. P., Toney, M. and Kim, H.-C., “Porosity in plasma enhanced chemical vapor deposited SiCOH dielectrics: A comparative study,” Journal of Applied Physics, vol. 94, no. 5, pp. 3427–3435, 1 September 2003.Google Scholar
10. Basdevant, N., Haduong, T. and Daniel, B., “Dielectric constant of a highly polarizable atomic fluid: the Clausius-Mossotti versus the Onsager relation,” Molecular Physics, vol. 102, no. 8, pp. 738–788, 20 April 2004.Google Scholar
11. Cooper, A., Clancy, P., “Parameter-free correlation for a composition-based prediction of the dielectric constant of amorphous organosilicate materials,” Molecular Simulation, submitted March 2012.Google Scholar
12. Volksen, W., Dubois, G., Kellock, A., Magbitang, T. P., Miller, R. D., Cohen, S., Simonyi, E. E., Ramirez, L. and Wang, Y., “Laser Spike Annealing: A Novel Post-Porosity Treatment for Significant Toughening of Low-k Organosilicates,” in IEEE Proceedings of the Interconnect Tech. Conf., Burlingame, California, 2006.Google Scholar
13. Tajima, N., Ohno, T., Hamada, T., Yoneda, K., Kondo, S., Kobayashi, N., Shinriki, M., Inaishi, Y., Miyazawa, K., Sakota, K., Hasaka, S. and Inoue, M., “Carbon-Doped Silicon Oxide Films with Hydrocarbon Network Bonds for Low-k Dielectrics: Theoertical Investigations,” Japanese Journal of Applied Physics, vol. 46, no. 9A, pp. 5970–5974, 2007.Google Scholar