DFT calculations for a photoresist polymer/TaO substrate adhesion in wafer fabrication

Journal of Adhesion Science and Technology

Volumn 17, Issue 8, 2003, Pages 1075-1081

  Wu, Ping ^a   Jin, Hong Mei ^a   Liu, Hong Lin ^a  

^a INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

Adhesion energy; Density functional theory; Impurity effect; Slab model

Indexed keywords

ADHESION; CRYSTAL IMPURITIES; INTERFACES (MATERIALS); PROBABILITY DENSITY FUNCTION; SUBSTRATES; TANTALUM COMPOUNDS; DENSITY FUNCTIONAL THEORY; PHOTORESISTS; POLYMERS; SILICON; SILICON WAFERS;

PHOTORESIST POLYMERS;

PHOTORESISTS; ADHESION;

A-DENSITY; ADHESION CHARACTERISTIC; ADHESION ENERGY; CRYSTAL FACE; DENSITY FUNCTIONALS; DFT CALCULATION; EFFECTS OF IMPURITIES; IMPURITY EFFECT; OPTIMISATIONS; SLAB MODEL; SUBSTRATE ADHESION; WAFER FABRICATIONS;

EID: 0042233640     PISSN: 01694243     EISSN: None     Source Type: Journal    
DOI: 10.1163/156856103322113797     Document Type: Article

References (21)

1. J. L. Vossen and W. Kern (Eds), Thin Film Processes. Academic Press, New York (1978).
2. P. Van Zant, Microchip Fabrication: A Practical Guide to Semiconductor Processing. McGraw-Hill, New York (2000).
3. E. Heifets, E. A. Kotomin and R. Orlando, J. Phys.: Condens. Matter. 8, 6577 (1996).
4. F. Rao, R. Wu and A. J. Freeman, Phys. Rev. B 51, 10052 (1995).
5. W. Zhang and J. R. Smith, Phys. Rev. Lett. 85, 3225 (2000).
6. D. J. Siegel, L. G. Hector and J. B. Adams, Acta Materialia 50, 619 (2002)
7. M. W. Finnis, C. Kruse and U. Schönberger, Nanostruct. Mater. 6, 145 (1995).
8. M. Akbulut, W. C. Ermler and D. M. Kalyon, Computational Theor. Polym. Sci. 7, 75 (1997).
9. B. Delley, J. Chem. Phys. 92, 508 (1990).
10. W. T. Geng, Y.-J. Zhao, A. J. Freeman and B. Delley, Phys. Rev. B63, 60101 (2001).
11. Y. J. Zhao, W. T. Geng, J. Freeman and T. Oguchi, Phys. Rev. B63, 201202 (2001).
12. P. Wu, H. M. Jin and H. L. Liu, Chem. Mater. 14, 832 (2002).
13. P. Wu, H. M. Jin and H. L. Liu, DFT calculations for a photoresist polymer/Au substrate adhesion in wafer fabrication, J. Mater. Sci. (in press).
14. P. Villars, in: Pearson's Handbook of Crystallographic Data for Intermetallic, p. 2581, ASM International, Materials Park, OH (1997).
15. J. P. Perdew and Y. Wang, Phys. Rev. B45, 13244 (1992).
16. L. F. Pacicos and P. A. Christiansen, J. Chem. Phys. 82, 2664 (1985).
17. F. L. Hirshfeld, Theor. Chim. Acta B44, 129 (1997).
18. C. R. Friedrich and Y. Valdimirsky (Eds), in: Materials and Device Characterization in Micromachining, p. 455. SPIE, Bellingham, WA (1998).
19. A. Bravais, Etudes Cristallographiques. Gauthier-Villard, Paris (1913).
20. G. Friedel, Bull. Soc. Mineral. Crystallogr. 30, 326 (1930).
21. J. D. H. Donnay and D. Harker, Am. Mineralogist 22, 463 (1937).