First principles calculations on Na and K-adsorbed diamond(1 0 0) surface

Chemical Physics

Volumn 326, Issue 2-3, 2006, Pages 308-314

  Nie, J L ^a   Xiao, H Y ^a   Zu, X T ^a,b   Gao, Fei ^c  

^a UNIVERSITY OF ELECTRONIC SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

^c PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

Density functional theory calculations; Diamond; Potassium; Sodium; Work function

Indexed keywords

EID: 33746146819     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2006.02.005     Document Type: Article

References (45)

1. Tanaka S., Takagi N., Minami N., and Nishijima M. Phys. Rev. B 42 (1990) 1868
2. Soukiassian P., Kubby J.A., Mangat P., Hurych Z., and Schirm K.M. Phys. Rev. B 46 (1992) 13471
3. Shi H.Q., Radny M.W., and Smith P.V. Surf. Sci. 561 (2004) 215
4. Pomyalov A. Phys. Rev. B 57 (1998) 8989
5. Morikawa Y., Kobayashi K., Terakura K., and Blügel S. Phys. Rev. B 44 (1991) 3459
6. Michel E.G., Pervan P., Castro G.R., Miranda R., and Wandelt K. Phys. Rev. B 45 (1992) 11811
7. Meyerheim H.L., Jedrecy N., Sauvage-Simkin M., and Pinchaux R. Phys. Rev. B 58 (1998) 2118
8. Martín-Gago J.A., Asensio M.C., Aebi R.F.P., Naumović D., Osterwalder J., Refolio M.C., López-Sancho J.M., and Rubio J. Phys. Rev. B 57 (1998) 9201
9. Lindsay R., Dürr H., Wincott P.L., Colera I., Cowie B.C., and Thornton G. Phys. Rev. B 51 (1995) 11140
10. Kobayashi K., Morikawa Y., Terakura K., and Blügel S. Phys. Rev. B 45 (1992) 3469
11. Ekpenuma S.N., and Ray A.K. Phys. Rev. B 46 (1992) 16163
12. Abukawa T., and Kono S. Phys. Rev. B 37 (1988) 9097
13. Krüger P., and Pollmann J. Phys. Rev. Lett. 74 (1995) 1155
14. Sun B., Zhang X., and Lin Z. Phys. Rev. B 47 (1994) 9816
15. Hamza A.V., Kubiak G.D., and Stulen R.H. Surf. Sci. 237 (1990) 35
16. Lurie P.G., and Wilson J.M. Surf. Sci. 65 (1977) 453
17. Yu Y., Gu C.Z., Xu L.F., and Zhang S.B. Phys. Rev. B 70 (2004) 125423
18. Thachepan S., Okuyama H., Arua T., Nishijima M., Ando T., Baǧc S., Tütüncü H.M., and Srivastava G.P. Phys. Rev. B 68 (2003) 033310
19. Sternberg M., Zapol P., and Curtiss L.A. Phys. Rev. B 68 (2003) 205330
20. Scholze A., Schmidt W.G., Käckell P., and Bechstedt F. Mat. Sci. Eng. B 37 (1996) 158
21. Kress C., Fiedler M., Schmidt W.G., and Bechstedt F. Phys. Rev. B 50 (1994) 17697
22. Kinsky J., Graupner R., Stammler M., and Ley L. Diam. Relat. Mater. 11 (2002) 365
23. Furthmüller J., Hafner J., and Kresse G. Phys. Rev. B 53 (1996) 7334
24. Zhang Z., Wensell M., and Bernholc J. Phys. Rev. B 51 (1995) 5291
25. Yang S.H., Drabold D.A., and Adams J.B. Phys. Rev. B 48 (1993) 5261
26. Steckel J.A., Kresse G., and Hafner J. Phys. Rev. B 66 (2002) 155406
27. Hong S., and Chou M.Y. Phys. Rev. B 55 (1997) 9975
28. Hossain M.Z., Kubo T., Aruga T., Takagi N., Tsuno T., Fujimori N., and Nishijima M. Diam. Relat. Mater. 9 (2000) 162
29. Xu L., Xiao H.Y., and Zu X.T. Chem. Phys. 315 (2005) 155
30. L. Xu, H.Y. Xiao, X.T. Zu, Chem. Phys. in press.
31. Xiao H.Y., Zu X.T., Zhang Y.Z., and Yang L. J. Chem. Phys. 122 (2005) 174704
32. Xiao H.Y., Zu X.T., Zhang Y.F., and Gao F. Chem. Phys. Lett. 417 1-3 (2006) 6
33. H.Y. Xiao, X.T. Zu, Y.F. Zhang, F. Gao, Chem. Phys. in press.
34. Xiao H., and Xie D. Surf. Sci. 553 (2004) 13
35. Nie J.L., Xiao H.Y., and Zu X.T. Chem. Phys. 321 (2006) 48
36. Chen Z.J., Xiao H.Y., and Zu X.T. Acta Physica. Sinica. 54 (2005) 5301
37. Vanderbilt D. Phys. Rev. B 41 (1990) 7892
38. Kress G., and Hafner J. J. Phys. Condens. Mat. 6 (1994) 8245
39. Perdew J.P., Chevary J.P., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 46 (1992) 6671
40. Methfessel M., and Paxton A. Phys. Rev. B 40 (1989) 3616
41. Kaiser W., and Bond W.L. Phys. Rev. 115 (1959) 857
42. Over H., Wasserfall J., Ranke W., Ambiatello C., Sawitzki R., Wolf D., and Moritz W. Phys. Rev. B 55 (1997) 4731
43. Needels M., Payne M.C., and Joannopoulos J.D. Phys. Rev. Lett. 58 (1987) 1765
44. Clark C.D., Dean P.J., and Harris P.V. Proc. R. Soc. London Ser. A 227 (1964) 312
45. More S., Berndt W., Bradshaw A.M., and Stumpf R. Phys. Rev. B 57 (1998) 9246