Phosphine adsorption and dissociation on the Si(001) surface: An ab initio survey of structures

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 12, 2005, Pages

  Warschkow, O ^a   Wilson, H F ^a   Marks, N A ^a   Schofield, S R ^b,c   Curson, N J ^c   Smith, P V ^b   Radny, M W ^b   McKenzie, D R ^a   Simmons, M Y ^c  

^a UNIVERSITY OF SYDNEY   (Australia)

^b UNIVERSITY OF NEWCASTLE   (Australia)

^c UNIVERSITY OF NEW SOUTH WALES   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29844451227     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.125328     Document Type: Article

References (44)

1. J. R. Tucker and T. C. Shen, Int. J. Circuit Theory Appl. ICTACV 0098-9886 10.1002/1097-007X(200011/12)28:6<553::AID-CTA127>3.0.CO;2-I 28, 553 (2000).
2. G. L. Snider, A. O. Orlov, I. Amlani, X. Zuo, G. H. Bernstein, C. S. Lent, J. L. Merz, and W. Porod, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.370344 85, 4283 (1999).
3. J. L. O'Brien, S. R. Schofield, M. Y. Simmons, R. G. Clark, A. S. Dzurak, N. J. Curson, B. E. Kane, N. S. McAlpine, M. E. Hawley, and G. W. Brown, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.161401 64, 161401 (R) (2001).
4. B. E. Kane, Nature (London) NATUAS 0028-0836 10.1038/30156 393, 133 (1998).
5. S. R. Schofield, N. J. Curson, M. Y. Simmons, F. J. Ruess, T. Hallam, L. Oberbeck, and R. G. Clark, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.136104 91, 136104 (2003).
6. Y. Wang, M. J. Bronikowski, and R. J. Hamers, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100074a025 98, 5966 (1994).
7. Y. Wang, X. Chen, and R. J. Hamers, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.4534 50, 4534 (1994).
8. L. Kipp, R. D. Bringans, D. K. Biegelsen, J. E. Northrup, A. Garcia, and L.-E. Swartz, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.5843 52, 5843 (1995).
9. D.-S. Lin, T.-S. Ku, and T.-J. Sheu, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(98)00943-1 424, 7 (1999).
10. D.-S. Lin, T.-S. Ku, and R.-P. Chen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.2799 61, 2799 (2000).
11. N. J. Curson, S. R. Schofield, M. Y. Simmons, L. Oberbeck, and R. G. Clark, Surf. Sci. SUSCAS 0039-6028 532-535, 678 (2003).
12. N. J. Curson, S. R. Schofield, M. Y. Simmons, L. Oberbeck, J. L. O'Brien, and R. G. Clark, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.195303 69, 195303 (2004)
13. M. L. Yu and B. S. Meyerson, J. Vac. Sci. Technol. A JVTAD6 0734-2101 10.1116/1.572363 2, 446 (1984).
14. M. L. Yu, D. J. Vitkavage, and B. S. Meyerson, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.336708 59, 4032 (1986).
15. M. L. Colaianni, P. J. Chen, and J. T. Yates, Jr., J. Vac. Sci. Technol. A JVTAD6 0734-2101 10.1116/1.578927 12, 2995 (1994).
16. D. S. Yoo, M. Suemitsu, and N. Miyamoto, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.360742 78, 4988 (1995).
17. N. Maity, L.-Q. Xia, S. E. Roadman, and J. R. Engstrom, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(95)00834-9 344, 203 (1995).
18. F. Hirose and H. Sakamoto, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(99)00412-4 430, L540 (1999).
19. Y. Tsukidate and M. Suemitsu, Appl. Surf. Sci. ASUSEE 0169-4332 10.1016/S0169-4332(99)00272-X 151, 148 (1999).
20. J. Shan, Y. Wang, and R. J. Hamers, J. Phys. Chem. JPCHAX 0022-3654 10.1021/jp952452h 100, 4961 (1996).
21. H.-W. Tsai and D.-S. Lin, Surf. Sci. SUSCAS 0039-6028 482-485, 654 (2001).
22. P.-L. Cao, L.-Q. Lee, J.-J. Dai, and R.-H. Zhou J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/6/31/009 6, 6103 (1994).
23. R. Miotto, G. P. Srivastava, and A. C. Ferraz, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.125321 63, 125321 (2001).
24. R. Miotto, G. P. Srivastava, R. H. Miwa, and A. C. Ferraz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1355766 114, 9549 (2001).
25. R. Miotto, G. P. Srivastava, and A. C. Ferraz, Surf. Sci. SUSCAS 0039-6028 482-485, 160 (2001).
26. N. J. Curson, S. R. Schofield, O. Warschkow, N. A. Marks, H. F. Wilson, P. V. Smith, M. W. Radny, D. R. McKenzie, and M. Y. Simmons (unpublished).
27. H. F. Wilson, O. Warschkow, N. A. Marks, S. R. Schofield, N. J. Curson, P. V. Smith, M. W. Radny, D. R. McKenzie, and M. Y. Simmons, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.226102 93, 226102 (2004)
28. CPMD Code, J. Hutter, A. Alavi, T. Deutsch, M. Bernasconi, S. Goedecker, D. Marx, M. Tuckerman, and M. Parrinello, MPI fur Festkörperforschung and IBM Zürich Research Laboratory, 1995-2004.
29. S. Goedecker and C. J. Umrigar, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.55.1765 55, 1765 (1997).
30. A. D. Becke, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988).
31. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988).
32. M. J. Frisch,,, Gaussian 03, Revision C.02 (Gaussian, Inc., Wallingford, CT, 2004).
33. Y. Widjaja and C. B. Musgrave, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(00)00810-4 469, 9 (2000).
34. A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464304 98, 1372 (1993).
35. N. Marzari and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.12847 56, 12847 (1997).
36. P. L. Silvestrelli, N. Marzari, D. Vanderbilt, and M. Parinello, Solid State Commun. SSCOA4 0038-1098 10.1016/S0038-1098(98)00175-6 107, 7 (1998).
37. R. M. Tromp, R. J. Hamers, and J. E. Demuth, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.1303 55, 1303 (1985).
38. R. A. Wolkow, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.68. 2636 68, 2636 (1992).
39. H. F. Wilson, N. A. Marks, and D. R. McKenzie, Surf. Sci. SUSCAS 0039-6028 587, 185 (2005).
40. J. Tersoff and D. R. Hamann, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.50.1998 50, 1998 (1983).
41. J. Tersoff and D. R. Hamann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.31.805 31, 805 (1985).
42. J. M. Wittbrodt and H. B. Schlegel, J. Phys. Chem. A JPCAFH 1089-5639 103, 8547 (1999).
43. Z. K. Smedarchina and M. Z. Zgierski, Int. J. Mol. Sci. IJMCFK 1422-0067 4, 445 (2003).
44. R. J. Hamers and Y. Wang, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr950213k 96, 1261 (1996).