First principles study of the aluminum-cubic boron nitride interface

Journal of Adhesion

Volumn 82, Issue 8, 2006, Pages 779-803

  Ooi, Newton ^a   Hector, Louis ^b   Adams, James ^c   Stanzione, Daniel ^c  

^a ARIZONA STATE UNIVERSITY   (United States)

^b GENERAL MOTORS CORPORATION   (United States)

^c Arizona State University   (United States)

Author keywords

Aluminum; Cubic boron nitride; Density functional; Interface structure; Simulation

Indexed keywords

ADHESION; ALUMINUM; BONDING; CUBIC BORON NITRIDE; DEBONDING;

ALUMINUM-CERAMIC INTERFACES; CHARGE DENSITY DIFFERENCE; ELECTRON LOCALIZATION; PLANE WAVE DENSITY FUNCTIONAL METHODOLOGY;

INTERFACES (MATERIALS);

EID: 33747119795     PISSN: 00218464     EISSN: 15455823     Source Type: Journal    
DOI: 10.1080/00218460600822716     Document Type: Article

References (58)

1. Wentorf, R. H.Jr., J. Chem. Phys. 26, 956 (1957).[CSA]
2. Moeller, T., Inorganic Chemistry: A Modern Introduction (John Wiley & Sons, New York, 1982).
3. Kester, D. J. and Messier, R., J. Appl. Phys. 72, 504-513 (1992).[CSA][CROSSREF]
4. Lu, M., Bousetta, A., Bensaoula, A., Waters, K., and Schultz, J. A., Appl. Phys. Lett. 68, 622-624 (1995).[CSA][CROSSREF]
5. Fitz, C., Kolitsch, A., Moller, W., and Fukarek, W., Appl. Phys. Lett. 80, 55-57 (2001).[CSA][CROSSREF]
6. Reinke, S., Kuhr, M., and Kulisch, W., Diamond Relat. Mater. 5, 508-513 (1996).[CSA][CROSSREF]
7. Klett, A., Malavé, A., Freudenstein, R., Plass, M. F., and Kulisch, W., Appl. Phys. A 69, 653-656 (1999).[CSA][CROSSREF]
8. Wang, Y. S., Ping, W., and Ping, L. K., HPC report, CSE Symposium 2003, www.ihpc.a-star.edu.sg/newsletter/vol05issue02.pdf (Accessed December 2005)[CSA]
9. Mailhiot, C., Grant, J. B., and McMahan, A. K., Phys. Rev. B 42, 9033-9039 (1990).[CSA][CROSSREF]
10. Xu, Y. N. and Ching, W. Y., Phys. Rev. B 44, 7787-7798 (1991).[CSA][CROSSREF]
11. Zunger, A. and Freeman, A. J., Phys. Rev. B 17, 2030-2042 (1978).[CSA][CROSSREF]
12. Furthmuller, J., Hafner, J., and Kresse, G., Phys. Rev. B 50, 15606-15622 (1994).[CSA][CROSSREF]
13. Pickett, W. E., Phys. Rev. B 38, 1316-1322 (1988).[CSA][CROSSREF]
14. Lambrecht, W. R. L. and Segall, B., Phys. Rev. B 40, 9909-9919 (1989).[CSA][CROSSREF]
15. Lambrecht, W. R. L. and Segall, B., Phys. Rev. B 41, 5409 (1990).[CSA][CROSSREF]
16. Yamamoto, K., Kobayashi, K., Ando, T., Nishitani-Gamo, M., Souda, R., and Sakaguchi, I., Diamond Relat. Mater. 7, 1021-1024 (1998).[CSA][CROSSREF]
17. He, G. M., Zheng, Y. M., Wang, R. S., and Li, S. P., Solid State Commun. 118, 287-290 (2001).[CSA][CROSSREF]
18. Benzair, A. and Aourag, H., Superlattices Microstruct. 31, 219-228 (2002).[CSA][CROSSREF]
19. Wang, H., Zheng, J., Wee, A. T. S., and Chuan, C. H. A., J. Elect. Spectr. Rel. Phen. 114-116, 483-488 (2001).[CSA][CROSSREF]
20. Zhang, R. Q., Lo, S. F., Wan, J., Yu, D. K., and Le, S. T., Comp. Mat. Sci. 23, 38-42 (2002).[CSA][CROSSREF]
21. Watanabe, S., Wheeler, D. R., Abel, P. B., Street, K. W., Miyoshi, K., Murakawa, M., and Miyake, S. NASA Tech. Briefs LEW 16695, 1998.
22. Edgar, J. H., Properties of Group III Nitrides (INSPEC, London, 1994).
23. Tzeng, Y., Yoshikawa, M., Murakawa, M., and Feldman, A., Proceedings of the 1st International Conference on the Applications of Diamond Films and Related Materials (Elsevier Science, Auburn, AL, 1991), pp. 143-148.
24. Kresse, G. and Furthmuller, J., Phys. Rev. B 54, 11169-11186 (1996).[CSA][CROSSREF]
25. Kresse, G. and Furthmuller, J., Comput. Mater. Sci. 6, 15-50 (1996)[CSA][CROSSREF]
26. Blochl, P. E., Phys. Rev. B 50, 17953-17979 (1994).[CSA][CROSSREF]
27. Kresse, G. and Joubert, D., Phys. Rev. B 59, 1758-1775 (1999).[CSA][CROSSREF]
28. Ceperley, D. M. and Alder, B. J., Phys. Rev. Lett. 45, 566-569 (1980).[CSA][CROSSREF]
29. Qi, Y., Hector, L. G.Jr., Ooi, N. and Adams, J. B., Surf. Sci. 581, 155-168 (2005).[CSA][CROSSREF]
30. Siegel, D. J., First Principles Study of Metal-Ceramic Interface, Ph.D. Thesis, University of Illinois at Urbana-Champaign (2001).[CSA]
31. Pulay, P., Chem. Phys. Lett. 73, 393 (1980).[CSA][CROSSREF]
32. Broyden, C. G., Math. Comp. 19, 577-593 (1965).[CSA][CROSSREF]
33. Johnson, D. D., Phys. Rev. B 38, 12807-12813 (1988).[CSA][CROSSREF]
34. Hellman, H., Einfuhrung in die Quantumchemie (Deuticke, Leipzig, 1937).
35. Feynman, R. P., Phys. Rev. 56, 340-343 (1939).[CSA][CROSSREF]
36. Blochl, P. E., Jepsen, O., and Andersen, O. K., Phys. Rev. B 49, 16223-16233 (1994).[CSA][CROSSREF]
37. Harper, C., Handbook of Ceramics, Glasses, and Diamonds (McGraw-Hill, New York, 2001).
38. Ooi, N. and Adams, J. B., Surf. Sci. 574, 269-286 (2005).[CSA][CROSSREF]
39. Birch, F., Phys. Rev. 71, 809-824 (1947).[CSA][CROSSREF]
40. Birch, F., J. Geophys. Res. 57, 227 (1952).[CSA]
41. Winter, M. www.webelements.com (AccessedDecember2005)
42. Kittel, C., Introduction to Solid Physics, 7th ed. (John Wiley & Sons, New York, 2000).
43. Ercolessi, F. and Adams, J. B., Europhys. 26, 583-588 (1994).[CSA]
44. Simmons, G. and Wang, H., A Handbook of Single Crystal Elastic Constants and Calculated Aggregate Properties, 2nd ed. (MIT Press, Cambridge, MA, 1971).
45. Siegel, D. J., Ph.D. Thesis, University of Illinois at Urbana - Champaign (2001).
46. Perdew, J. P., Tran, H. Q., and SmithE. D., Phys. Rev. B 46, 11627-11636 (1990).[CSA][CROSSREF]
47. Skriver, H. L. and Rosengaard, N. M., Phys. Rev. B 46, 7157-7168 (1992).[CSA][CROSSREF]
48. Vitos, L., Ruban, A. V., Skriver, H. L., and Kollar, J., Surf. Sci. 411, 186-202 (1998).[CSA][CROSSREF]
49. Kiejna, A., Peisert, J., and Scharoch, P., Surf. Sci. 432, 54-60 (1999).[CSA][CROSSREF]
50. Venables, J., Introduction to Surface and Thin Film Processes (Cambridge University Press, Cambridge, UK, 2000).
51. Sanchez, B., Jr., Proceedings of the International Interconnect Technology Conference 247 (IEEE, 1998).
52. Heinrichsmeier, H., Fleszar, A., and Eguiluz, A. G., Surf. Sci. 285, 129-141 (1993).[CSA][CROSSREF]
53. Eustathopoulos, N., NicholasM. G., and DrevetB., Wettability at High Temperatures (Pergamon Press, New York, 1999).
54. Qi, Y. and Hector, L. G., Jr., Phys. Rev. B 69, 235401-235410 (2004).[CSA][CROSSREF]
55. Qi, Y., Hector, L. G., Jr., Ooi, N., and Adams, J. B., Surf Sci. 581, 155-168 (2005).[CSA][CROSSREF]
56. Siegel, D. J., Hector, L. G., Jr., and Adams, J. B., Acta Mat. 50, 619-631 (2002).[CSA][CROSSREF]
57. Siegel, D. J., Hector, L. G., Jr., and Adams, J. B., Surf. Sci. 498, 321-336 (2002).[CSA][CROSSREF]
58. Becke, A. D. and Edgecombe, K. E., J. Chem. Phys. 92, 5397-5403 (1990).[CSA][CROSSREF]