Theoretical study of the electronic structure of the Si3N 4(0 0 0 1) surface

Surface Science

Volumn 579, Issue 1, 2005, Pages 11-20

  Bermudez, V M ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

Author keywords

Ab initio quantum chemical methods and calculations; Photoelectron emission; Silicon nitride; Surface relaxation and reconstruction

Indexed keywords

ALGORITHMS; ELECTRON EMISSION; ELECTRONIC STRUCTURE; FERMI LEVEL; HYDROGENATION; LATTICE CONSTANTS; PHOTOEMISSION; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES;

AB INITIO QUANTUM CHEMICAL METHODS AND CALCULATIONS; DENSITY FUNCTIONAL THEORY; PHOTOELECTRON EMISSION; SURFACE RELAXATION AND RECONSTRUCTION;

SILICON NITRIDE;

EID: 14744279217     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2005.01.025     Document Type: Article

References (46)

1. J.W. Kim, and H.W. Yeom Phys. Rev. B 67 2003 035304
2. V.M. Bermudez, and F.K. Perkins Appl. Surf. Sci. 235 2004 406
3. H. Takeuchi, and T.-J. King J. Electrochem. Soc. 151 2004 H44
4. M. Naich, G. Rosenman, Ya. Roizin, and M. Molotskii Solid-State Electron. 48 2004 477
5. Y. Aya, A. Ando, S. Yamasaki, and K. Wakisaka Jpn. J. Appl. Phys. 42 2003 L1321
6. E. Lusky, Y. Shacham-Diamand, A. Shappir, I. Bloom, and B. Eitan Appl. Phys. Lett. 85 2004 669
7. P. Kroll, and M. Milko Z. Anorg. Allg. Chem. 629 2003 1737
8. R. Belkada, M. Kohyama, T. Shibayanagi, and M. Naka Phys. Rev. B 65 2002 092104
9. R. Belkada, T. Shibayanagi, M. Naka, and M. Kohyama J. Am. Ceram. Soc. 83 2000 2449
10. W.Y. Ching, L. Ouyang, and J.D. Gale Phys. Rev. B 61 2000 8696
11. G.L. Zhao, and M.E. Bachlechner Phys. Rev. B 58 1998 1887
12. F. De Brito Mota, J.F. Justo, and A. Fazzio Int. J. Quant. Chem. 70 1998 973
13. V.A. Gritsenko, Yu.N. Novikov, and Yu.N. Morokov Fiz. Tverd. Tela 39 1997 1342 English trans.: Phys. Solid State 39 (1997) 1191
14. Y.-N. Xu, and W.Y. Ching Phys. Rev. B 51 1995 17379
15. A. Reyes-Serrato, D.H. Galván, and I.L. Garzón Phys. Rev. B 52 1995 6293
16. A.Y. Liu, and M.L. Cohen Phys. Rev. B 41 1990 10727
17. J. Robertson Philos. Magn. B 44 1981 215
18. Y. Widjaja, A. Heyman, and C.B. Musgrave J. Phys. Chem. B 106 2002 2643
19. G.-M. Rignanese, and A. Pasquarello Phys. Rev. B 63 2001 075307
20. S. Higai, and T. Ohno Appl. Phys. Lett. 82 2003 4044
21. C. Mui, Y. Widjaja, J.K. Kang, and C.B. Musgrave Surf. Sci. 557 2004 159
22. H.-J. Kim, and J.-H. Cho Phys. Rev. B 69 2004 233402
23. X. Xu, S.-Y. Kang, and T. Yamabe Chem. Eur. J. 8 2002 5351
24. X. Lu, X. Xu, N. Wang, Q. Zhang, and M.C. Lin Chem. Phys. Lett. 355 2002 365
25. Y. Widjaja, and C.B. Musgrave Phys. Rev. B 64 2001 205303
26. H. Ezzehar, Ph. Sonnet, C. Minot, and L. Stauffer Surf. Sci. 454-456 2000 358
27. Z.-H. Loh, and H. Chuan Kang J. Chem. Phys. 112 2000 2444
28. A.A. Bagatur'yants, K.P. Novoselov, A.A. Safonov, J.V. Cole, M. Stoker, and A.A. Korkin Surf. Sci. 486 2001 213
29. V.R. Saunders et al., CRYSTAL2003 User's Manual, University of Torino, Torino, 2003
30. C. Pisani, R. Dovesi, and C. Roetti Hartree-Fock ab initio treatment of crystalline systems 1988 Springer Berlin
31. Ph. D'Arco, G. Sandrone, R. Dovesi, R. Orlando, and V.R. Saunders Phys. Chem. Miner. 20 1993 407
32. V.M. Bermudez Surf. Sci. 565 2004 89
33. J. Muscat, A. Wander, and N.M. Harrison Chem. Phys. Lett. 342 2001 397
34. W.F. Perger Chem. Phys. Lett. 368 2003 319
35. M.D. Towler, A. Zupan, and M. Causà Comput. Phys. Commun. 98 1996 181
36. P. Villars, and L.D. Calvert Pearson's handbook of crystallographic data for intermetallic phases, vol. 3 1985 American Society for Metals Metals Park, OH
37. R. Nietubyć, E. Sobczak, O. Šipr, J. Vackář, and A. Šimunek J. Alloys Compds. 286 1999 148
38. C. Sénémaud, M. Driss-Khodja, A. Gheorghiu, S. Harel, G. Dufour, and H. Roulet J. Appl. Phys. 74 1993 5042
39. I.M. Band, Yu.I. Kharitonov, and M.B. Trzhaskovskaya At. Data Nucl. Data Tables 23 1979 443
40. J. Bauer Phys. Stat. Sol. A 39 1977 411
41. V.A. Gritsenko, A.V. Shaposhnikov, W.M. Kwok, H. Wong, and G.M. Jidomirov Thin Solid Films 437 2003 135
42. N. Pic, A. Glachant, S. Nitsche, J.Y. Hoarau, D. Goguenheim, D. Vuillaume, A. Sibai, and C. Chaneliere Solid-State Electron. 45 2001 1265
43. W.F. Egelhoff Jr. Surf. Sci. Rep. 6 1987 253
44. V.M. Bermudez, and J.P. Long Appl. Phys. Lett. 66 1995 475
45. A. Bahari, U. Robenhagen, P. Morgen, Z.S. Li, Phys. Rev. B, submitted for publication
46. F.A. Cotton, and G. Wilkinson Advanced inorganic chemistry first ed. 1962 Wiley New York