Density functional study of structural and electronic properties of silane adsorbed Si(100) surface

Journal of Molecular Structure: THEOCHEM

Volumn 496, Issue 1-3, 2000, Pages 163-173

  Lin, J S ^a   Kuo, Y T ^a   Lee, M H ^a   Lee, K H ^a   Chen, J C ^a  

^a TAMKANG UNIVERSITY   (Taiwan)

Author keywords

Chemical vapor deposition; Density functional theory; Density of state; Pseudopotential; Si(100) surface; Silane

Indexed keywords

DIMER; SILANE; SILICON;

ADSORPTION; ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; COMPUTER ANALYSIS; DISSOCIATION; ENERGY TRANSFER; MOLECULAR DYNAMICS; SURFACE PROPERTY; VAPOR;

EID: 0034614536     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00179-7     Document Type: Article

References (39)

1. Gates S.M., Greenlief C.M., Beach D.B. J. Chem. Phys. 93:1990;7493.
2. Gates S.M., Greenlief C.M., Beach D.B., Holbert P.A. J.Chem. Phys. 92:1990;3144.
3. Gates S.M., Kulkarni S.K. Appl. Phys. Lett. 58:1991;2963.
4. Kruger P., Pollmann J. Phys. Rev. Lett. 74:1995;1155.
5. Furthmuller J., Hafner J., Kresse G. Europhys. Lett. 28:1994;659.
6. Hamers R.J., Wang Y. Chem. Rev. 96:1996;1261.
7. Waltenburg H.N., Yates J.T. Jr. Chem. Rev. 95:1995;1589.
8. Liu Q., Hoffmann R. J. Am. Chem. Soc. 117:1995;4082.
9. Konecny R., Doren D.J. J. Chem. Phys. 106:1997;2426.
10. Fattal E., Radeke M.R., Reynolds G., Carter E.A. J. Phys. Chem. B. 101:1997;8058.
11. Brown A.R., Doren D.J. J. Chem. Phys. 109:1998;2442.
12. Brown A.R., Doren D.J. J. Chem. Phys. 110:1999;2643.
13. Weakliem P.C., Carter E.A. J. Chem. Phys. 98:1993;737.
14. Radekr M.R., Carter E.A. Surface Sci. 355:1996;L289.
15. Wu C.J., Carter E.A. Chem. Phys. Lett. 185:1991;172.
16. Penev E., Kratzer P., Scheffler M. J. Chem. Phys. 110:1999;3986.
17. K.W. Lee, MS thesis, Tamknag University, Taiwan, ROC, 1997.
18. Hoffmann R. Solids and Surfaces: A Chemist's View of Bonding in Extended Structure. 1988;VCH, New York.
19. Parr R.G., Yang W. Density-functional Theory of Atoms and Molecules. 1989;Oxford University Press, New York.
20. Ihm J. Rep. Prog. Phys. 51:1988;105.
21. Payne M.C., Teter M.P., Allan D.C., Arias T.A., Joannopoulos J.D. Rev. Mod. Phys. 64:1992;1045.
22. Teter M.P., Payne M.C., Allan D.C. Phys. Rev. B. 40:1989;12255.
23. Perdew J.P. Zeische P., Eschrig H. Electronic Structure of Solid '91. 1991;Akademie, Berlin.
24. Monkhorst J.D. Pack. Phys. Rev. B. 13:1976;5188.
25. Kleinman L., Bylander D.M. Phys. Rev. Lett. 48:1982;1425.
26. Hamann D.R., Schluter M., Chiang C. Phys. Rev. Lett. 43:1979;1494.
27. Kerker G. J. Phys. C. 13:1980;L189.
28. Bachelet G.B., Hamann D.R., Schluter M. Phy. Rev. B. 26:1982;4199.
29. Kerker G.P. J. Phys. C. 13:1980;L189.
30. Rappe A.M., Rabe K.M., Kaxiras E., Joannopoulos J.D. Phys. Rev. B. 41:1990;1227.
31. Lin J.S., Qteish A., Payne M.C., Heine V. Phys. Rev. B. 47:1993;4174.
32. Lin J.S., Payne M.C., Heine V., McConnell J.D.C. Phys. Chem. Minerals. 21:1994;150.
33. Stich I., Payne M.C., King-Smith R.D., Lin J.S., Clarke L.J. Phys. Rev. Lett. 68:1992;1351.
34. De Vita A., Gillan M.J., Lin J.S., Payne M.C., Stich I., Clarke L.J. Phys. Rev. Lett. 68:1992;3319.
35. Milman V., Pennycook S.J., Jesson D.E. Thin Solid Films. 272:1996;375.
36. Dabrowski J., Scheffler M. Appl. Surf. Sci. 56-58:1992;15.
37. J.S. Lin, Y.T. Kuo, M.H. Lee, K.H. Lee, J.C. Chen, submitted for publication.
38. Walsh R. Acc. Chem. Res. 14:1981;246.
39. CASTEP, 3.5 ed., Molecular Simulations Inc., 1997.