Ab initio study of Ag Al2O3 and Au Al2O3 interfaces

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 11, 2005, Pages

  Feng, Jiwei ^a   Zhang, Wenqing ^a   Jiang, Wan ^a  

^a SHANGHAI INSTITUTE OF CERAMICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29744432423     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.115423     Document Type: Article

References (59)

1. A. G. Evans D. R. Mumm, J. W. Hutchinson, G. H. Meier, and F. S. Pettit, Prog. Mater. Sci. PRMSAQ 0079-6425 10.1016/S0079-6425(00)00020-7 46, 505 (2001).
2. D. W. Goodman, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 95, 523 (1995).
3. B. C. Gates, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 95, 511 (1995).
4. C. C. Young, J. G. Duh, and C. S. Huang, Surf. Coat. Technol. SCTEEJ 0257-8972 10.1016/S0257-8972(01)01270-1 145, 215 (2001).
5. J. G. Li, Compos. Interfaces CMNTEU 0927-6440 1, 37 (1993).
6. C. Noguera, Physics and Chemistry at Oxide Surfaces (Cambridge University Press, Cambridge, 1996).
7. C. T. Campbell, Surf. Sci. Rep. SSREDI 0167-5729 10.1016/S0167-5729(96) 00011-8 27, 3 (1997).
8. G. Dehm, M. Rühle, G. Ding, and R. Raj, Philos. Mag. B PMABDJ 1364-2812 71, 1111 (1997).
9. G. Gutekunst, J. Mayer, and M. Rühle, Philos. Mag. A PMAADG 0141-8610 75, 1329 (1997).
10. W. H. Gitzen, Alumina as a Ceramic Material (American Ceramic Society, Columbus, 1970).
11. J. A. Kelber, C. Niu, K. Shepherd, D. R. Jennison, and A. Bogicevic, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(99)01089-4 446, 76 (2000).
12. J. Biener, M. Bäumer, R. J. Madix, P. Liu, E. Nelson, T. Kendelewicz, and G. E. Brown, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(99) 01189-9 449, 50 (2000).
13. M. W. Finnis, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/8/32/003 8, 5811 (1996), and references cited therein.
14. K. Reuter and M. Scheffler, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.035406 65, 035406 (2001).
15. W. Zhang and J. R. Smith, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.3225 85, 3225 (2000).
16. W. Zhang, J. R. Smith, and A. G. Evans, Acta Mater. ACMAFD 1359-6454 10.1016/S1359-6454(02)00177-5 50, 3803 (2002).
17. W. Zhang, J. R. Smith, and X.-G. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.024103 70, 024103 (2004).
18. G. X. Qian, R. M. Martin, and D. J. Chadi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.38.7649 38, 7649 (1988).
19. I. N. Remediakis, E. Kaxiras, and P. C. Kelires, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.4556 86, 4556 (2001).
20. S. B. Zhang and J. E. Northrup, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.67.2339 67, 2339 (1991).
21. Y. Yan, S. B. Zhang, and S. T. Pantelides, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.5723 86, 5723 (2001).
22. J. Padilla and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.1625 56, 1625 (1997).
23. X.-G. Wang, W. Weiss, Sh. K. Shaikhutdinov, M. Ritter, M. Petersen, F. Wagner, R. Schlogl, and M. Scheffler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.1038 81, 1038 (1998).
24. X.-G. Wang, A. Chaka, and M. Scheffler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.3650 84, 3650 (2000).
25. W. Zhang and J. R. Smith, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.16883 61, 16883 (2000).
26. I. G. Batyrev, A. Alavi, and M. W. Finnis, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.4698 62, 4698 (2000).
27. I. G. Batyrev, A. Alavi, M. W. Finnis, and T. Deutsch, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.1510 82, 1510 (1999).
28. E. Saiz, R. M. Cannon, and A. P. Tomsia, Acta Mater. ACMAFD 1359-6454 10.1016/S1359-6454(99)00279-7 47, 4209 (1999).
29. D. Chatain, L. Coudurier, and N. Eustathopoulos, Rev. Phys. Appl. RPHAAN 0035-1687 23, 1055 (1988).
30. J. E. McDonald and J. G. Eberhart, Trans. Metall. Soc. AIME TMSAAB 0543-5722, 233, 512 (1965).
31. CRC Handbook of Chemistry and Physics, 78th ed., edited by, D. R. Lide, (CRC Press, Boca Raton, FL, 1997).
32. Yu. F. Zhukovskii, M. Alfredsson, K. Hermansson, E. Heifets, and E. A. Kotomin, Nucl. Instrum. Methods Phys. Res. B NIMBEU 0168-583X 10.1016/S0168-583X(98)00064-0 141, 73 (1998).
33. Yu. F. Zhukovskii, E. A. Kotomin, B. Herschend, K. Hermansson, and P. W. M. Jacobs, Int. J. Mol. Sci. IJMCFK 1422-0067 2, 271 (2001).
34. Yu. F. Zhukovskii, E. A. Kotomin, B. Herschend, K. Hermansson, and P. W. M. Jacobs, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(02)01778-8 513, 343 (2002).
35. N. C. Hernández and J. F. Sanz, Appl. Surf. Sci. ASUSEE 0169-4332 238, 228 (2004).
36. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
37. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, R558 (1993).
38. G. Kresse and J. Hafner, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/6/40/015 6, 8245 (1994)
39. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.7892 41, R7892 (1990).
40. J. P. Perdew, in Electronic Structure of Solids '91, edited by, P. Ziesche, and, H. Eschrig, (Akademie Verlag, Berlin, 1991).
41. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
42. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
43. D. J. Siegel, L. G. Hector, and J. B. Adams, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.085415 65, 085415 (2002).
44. Ž. Crljen, P. Lazić, D. Šokčević, and R. Brako, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.195411 68, 195411 (2003).
45. L. L Wang and H. P. Cheng, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.165417 69, 165417 (2004).
46. A. Michaelides, M.-L. Bocquet, P. Sautet, A. Alaviand, and D. A. King, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(02)01699-8 367 344-350 (2003).
47. C. Kittel, Introduction to Solid State Physics, 4th ed. (Wiley, New York, 1971).
48. J. R. Smith and W. Zhang. Acta Mater. ACMAFD 1359-6454 10.1016/S1359-6454(00)00226-3 48, 4395 (2000).
49. W. Kohn and A. E. Mattsson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.3487 81, 3487 (1998).
50. D. L. Medlin, K. F. McCarty, R. Q. Hwang, S. E. Guthrie, and M. I. Baskes, Thin Solid Films THSFAP 0040-6090 10.1016/S0040-6090(96)09393-5 299, 110 (1997).
51. G. Dehm, M. Ruhle, D. Ding, and R. Raj, Philos. Mag. B PMABDJ 1364-2812 71, 1111 (1995).
52. R. Benedek, A. Alavi, D. N. Seidman, L. H. Yang, D. A. Muller, and C. Woodward, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.3362 84, 3362 (2000);
53. J. Schnitker and D. J. Srolovitz, Modell. Simul. Mater. Sci. Eng. MSMEEU 0965-0393 10.1088/0965-0393/6/2/005 6, 153 (1998).
54. Ralph W. G. Wyckoff, Crystal Structure, 2nd ed (Interscience, New York, 1964), Vol. 2.
55. M. W. Chase, C. A. Davies, J. R. Downey, D. J. Frurip, R. A. McDonald, and A. N. Syverud, JANAF Thermochemical Tables, 3rd ed. [J. Phys.Chem. Ref. Data 14, 61 (1985)].
56. O. Kubaschewski, C. B. Alcock, and P. J. Spencer, Materials Thermochemistry, 6th ed. (Pergamon, Oxford, 1993).
57. D. Chatain, F. Chabert, V. Ghetta, and J. Fouletier, J. Am. Ceram. Soc. JACTAW 0002-7820 77, 197 (1994), and references cited therein.
58. D. Chatain, F. Chabert, V. Ghetta, and J. Fouletier, J. Am. Ceram. Soc. JACTAW 0002-7820 10.1111/j.1151-2916.1993.tb03941.x 76, 1568 (1993), and references cited therein.
59. D. M. Lipkin, D. R. Clarke, and A. G. Evans, Acta Mater. ACMAFD 1359-6454 10.1016/S1359-6454(98)00071-8 46, 4835 (1998), and references cited therein.