Application of the extended Brenner potential to the Si(111)7×7:H system. I: Cluster calculations

Surface Science

Volumn 444, Issue 1, 2000, Pages 123-139

  Que, Jian Zhong ^a   Radny, M W ^a   Smith, P V ^a   Dyson, A J ^b  

^a UNIVERSITY OF NEWCASTLE   (Australia)

^b UNIVERSITY OF BASEL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHEMISORPTION; HYDROGEN; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SURFACE STRUCTURE;

BRENNER POTENTIAL; HARTREE-FOCK METHOD;

SILICON;

EID: 0033894542     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(99)00994-2     Document Type: Article

References (57)

1. Stillinger F.H., Weber T.A. Phys. Rev. B. 31:1985;5262.
2. Tersoff J. Phys. Rev. B. 38:1988;9902.
3. Tersoff J. Phys. Rev. Lett. 61:1988;2879.
4. Brenner D.W. Phys. Rev. B. 42:1990;9458.
5. Mahon P., Pailthorpe B.A., Backsay G.B. Phil. Mag. B. 63:1991;1419.
6. Pailthorpe B.A. J. Appl. Phys. 70:1991;543.
7. Balamane H., Halicioglu T., Tiller W.A. Phys. Rev. B. 46:1992;2250. and references therein.
8. Brenner D.W., Harrison J.A., White C.T., Colton R.J. Thin Solid Films. 206:1991;220.
9. Brenner D.W., Robertson D.H., Carty R.J., Srivastava D., Garrison B.J. Mater. Res. Soc. Meet. Proc. 278:1992;255.
10. Mowrey R.C., Brenner D.W., Dunlap B.I., Mintmire J.W., White C.T. J. Phys. Chem. 95:1991;7138.
11. Harrison J.A., Brenner D.W. J. Am. Chem. Soc. 116:1994;10399.
12. Garrison B.J., Dawnkaski E.J., Srivastava D., Brenner D.W. Science. 255:1992;835.
13. Taylor R.S., Garrison B.J. Langmuir. 11:1995;1220.
14. Taylor R.S., Garrison B.J. Chem. Phys. Lett. 230:1994;495.
15. Taylor R.S., Garrison B.J. J. Am Chem. Soc. 116:1994;4465.
16. Peploski J., Thompson D.L, Raff L.M. J. Phys. Chem. 96:1992;8538.
17. Chang X., Perry M.D., Peploski J., Thompson D.L, Raff L.M. J. Chem. Phys. 99:1993;4748.
18. Perry M.D., Mains G.J., Raff L.M. J. Phys. Chem. 98:1994;13766.
19. Halicioglu T. Chem. Phys. Lett. 179:1991;159.
20. Halicioglu T. Surf. Sci. 259:1991;L714.
21. Dyson A.J., Smith P.V. Surf. Sci. 316:1993;309.
22. Aleksandrov A.L., Bedanov V.M., Morokov Y.N., Shveigert V.A. J. Struct. Chem. 37:1996;572.
23. deSainteClaire P., Song K.Y., Hase W.L., Brenner D.W. J. Phys. Chem. 100:1996;1761.
24. Dyson A.J., Smith P.V. Surf. Sci. 355:1996;140.
25. Dyson A.J., Smith P.V. Surf. Sci. 375:1997;45.
26. Dyson A.J., Smith P.V. Surf. Sci. 396:1998;24.
27. Dyson A.J., Smith P.V. Mol. Phys. 96:1999;1491.
28. Waltenburg H.N., Yates J.T. Jr. Chem. Rev. 95:1995;1589.
29. Kolasinski K.W. Int. J. Mod. Phys. B. 9:1995;2753.
30. Boland J.J. Adv. Phys. 42:1993;129.
31. Gupta P., Colvin V.L., George S.M. Phys. Rev. B. 37:1988;8234.
32. Jing Z., Lucovsky G., Whitten J.L. Surf. Sci. 296:1993;L33.
33. Zhang J., Lees A.K., Taylor A.G., Xie M.H., Joyce B.A, Sobiesierski Z. J. Cryst. Growth. 175:1997;477.
34. Sakamoto K., Matsuhata H., Miki K., Sakamoto T. J. Cryst. Growth. 157:1995;295.
35. Morita Y., Miki K., Tokumoto H. Surf. Sci. 325:1995;21.
36. Suemitsu M., Kim K.J., Miyamoto N. Phys. Rev. B. 49:1994;11480.
37. Jo S.K., Gong B., Hess G., White J.M., Ekerdt J.G. Surf. Sci. 394:1997;L162.
38. Owen J.H.G., Miki K., Bowler D.R., Goringe G.M., Goldfarb I., Briggs G.A.D. Surf. Sci. 394:1997;91.
39. Nakamura K., Ichimura S., Shimizu H. Appl. Surf. Sci. 101:1996;444.
40. Hofer U. Appl. Phys. A. 63:(6):1996;533.
41. Fujita K., Kusumi Y., Ichikawa M. J. Vac. Sci. Technol. B. 15:1997;40.
42. Vinh L.T., Eddrief M., Sebenne C.A., Dumas P., Talebibrahimi A., Gunther R., Chabal Y.J., Derrien D.J. Appl. Phys. Lett. 64:1994;3308.
43. Ye L., Freeman A.J., Delley B. Phys. Rev. B. 48:1993;11107.
44. Stauffer L., Minot C. Catal. Lett. 23:1994;1.
45. Lim H., Cho K., Park I., Joannopoulos J.D., Kaxiras E. Phys.Rev. B. 52:1995;17231.
46. Alfonso D.R., Noguez C., Drabold D.A., Ulloa S.E. Phys. Rev. B. 54:1996;8028.
47. Vittadini A., Selloni A. Phys. Rev. Lett. 75:1995;4756.
48. Que J.Z., Radny M.W., Smith P.V. J. Phys.: Condens. Matter. 8:1996;4205.
49. Que J.Z., Radny M.W., Smith P.V. Surf. Sci. 391:1997;161.
50. Tong S.Y., Huang H., Wei C.M., Packard W.E., Men F.K., Glander G., Webb M.B. J. Vac. Sci. Technol. A. 6:1988;615.
51. Brommer K.D., Needels M., Larson B.E., Joannopoulos J.D. Phys. Rev. Lett. 68:1992;1355.
52. Štich I., Payne M.C., King-Smith R.D., Lin J.-S. Phys. Lett. 68:1992;1351.
53. Stephenson P.C.L., Radny M.W., Smith P.V. Surf. Sci. 366:1996;177.
54. Frisch M.J., Trucks G.W., Schlegel H.B., Gill P.M.W., Johnson B.G., Robb M.A., Cheeseman J.R., Keith T.A., Petersson G.A., Montgomery J.A., Raghavachari K., Al-Laham M.A., Zakrzewski V.G., Ortiz J.V., Foresman J.B., Cioslowski J., Stefanov B.B., Nanayakkara A., Challacombe M., Peng C.Y., Ayala P.Y., Chen W., Wong M.W., Andres J.L., Replogle E.S., Gomperts R., Martin R.L., Fox D.J., Binkley J.S., Defrees D.J., Baker J., Stewart J.P., Head-Gordon M., Gonzalez C., Pople J.A. Gaussian 94 (Revision B.1). 1995;Gaussian, Pittsburgh, PA.
55. Koehler B.G., Mak C.H., Arthur D.A., Coon P.A., George S.M. J. Chem. Phys. 89:1988;1709.
56. Muller D., Ringeisen F., Koulmann J.J., Bolmont D. Surf. Sci. 189-190:1987;472.
57. Que J.-Z., Radny M.W., Smith P.V. Surf. Sci. 444:2000;140.