Abstract
By a density functional method, the adhesion characteristics of polymer/Au with and without impurities are investigated. A slab model is employed to study the importance of different crystal faces. Results showed that in general the adhesion between the polymer and Au substrate is weak, regardless of any crystal faces. But the adhesion between polymer and Au(100) face is relatively stronger comparing with another two faces. Through geometry optimisation of polymer on Au(111), the effects of impurities including C, O, Si, NaOH and H2O are analysed. Results showed that the majority of the impurities are harmful for the adhesion, especially H2O and NaOH, which should be removed during wafer fabrication process.
Similar content being viewed by others
References
J. F. Zhang, C. Q. Cui Cq and T. B. Lim, J Adhes. Sci. Technol. 14 (2000) 507.
A. Bravais, “Etudes Cristallographiques” (Gauthier_Villard, Paris, 1913).
G. Friedel, Bull. Soc. Miner. Crystallogr. 30 (1930) 326.
J. D. H. Donnay and D. Harker, Amer. Mineralogist 22 (1937) 463.
B. Delley, J. Chem. Phys. 92 (1990) 508.
W. T. Geng, Yu-Jun Zhao, A. J. Freeman and B. Delley, Phys. Rev. B 63 (2001) 060101.
Y. J Zhao, W. T. Geng, J. Freeman and T. Oguchi, ibid. 64 (2001) 201202.
J.P. Perdew and Y. Wang, ibid. 45 (1992) 13244.
L.F. Pacicos and P. A. Christiansen, J. Chem. Phys. 82 (1985) 2664.
F. L. Hirshfeld, Theor. Chim. Acta. B 44 (1997) 129.
M. Ilie, B. Marculescu and N. Moldovan, in “Materials and Device Characterization in Micromachining,” edited by C. R. Friedrich and Y. Valdimirsky, September, Santa Clara, California, c1998.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Wu, P., Jin, H.M. & Liu, H.L. DFT calculations of polymer/gold substrate adhesion in wafer fabrication. Journal of Materials Science 38, 1727–1729 (2003). https://doi.org/10.1023/A:1023227726751
Issue Date:
DOI: https://doi.org/10.1023/A:1023227726751