Theoretical calculations on atomistic behaviors in transition metals (Fe, Co, Ni)-Al multilayer system: ab initio approach

Applied Surface Science

Volumn 252, Issue 23, 2006, Pages 8380-8383

  Kim, Chiho ^a   Chung, Yong Chae ^a  

^a Hanyang University   (South Korea)

Author keywords

Ab initio calculation; Incorporation; Surface diffusion; Transition metal Al multilayer

Indexed keywords

ALUMINUM; DIFFUSION; MULTILAYERS; SURFACE PHENOMENA; SURFACE STRUCTURE;

AB INITIO CALCULATION; INCORPORATION; SURFACE DIFFUSION; TRANSITION METAL-AL MULTILAYERS;

TRANSITION METALS;

EID: 33748163440     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2005.11.044     Document Type: Article

References (30)

1. Shivaparan N.R., Teter M.A., and Smith R.J. Surf. Sci. 476 (2001) 152
2. Kim C., and Chung Y.-C. Jpn. J. Appl. Phys. 43 (2004) 3815
3. Vovk V., Schmitz G., and Kirchheim R. Phys. Rev. B 69 (2004) 104102
4. Kim C., Chung Y.-C., and Korean J. Phys. Soc. 45 (2004) 1210
5. Kim C., and Chung Y.-C. Jpn. J. Appl. Phys. 44 (2004) 5700
6. Mikkelsen A., Ouattara L., and Lundgren E. Surf. Sci. 557 (2004) 109
7. Rohart S., Baudot G., Repain V., Girard Y., Rousset S., Bulou H., Goyhenex C., and Proville L. Surf. Sci. 559 (2004) 47
8. Allongue P., Cagnon L., Gomes C., Gündel A., and Costa V. Surf. Sci. 557 (2004) 41
9. Oleinik I.I., Tsymbal E.Y., and Pettifor D.G. Phys. Rev. B 65 (2001) 20401
10. Xu Q.Y., Wang Y.G., Zhang Z., You B., Du J., and Hu A. J. Magn. Magn. Mater. 263 (2003) 83
11. Shivaparan N.R., Krasemann V., Shutthanandan V., and Smith R.J. Surf. Sci. 365 (1996) 78
12. Graupner H., Hammer L., Müller K., and Zehner D.M. Surf. Sci. 322 (1995) 103
13. Kim S.-P., Chung Y.-C., Lee S.-C., Lee K.-R., and Lee K.-H. J. Appl. Phys. 93 (2003) 8564
14. Arranz A., and Palacio C. Thin Solid Films 317 (1998) 55
15. Bilić A., King B.V., and O'Connor D.J. Surf. Sci. 442 (1999) 256
16. Kresse G., and Furthmüller J. Vienna Ab initio Simulation Package (2001), University of Wien, Vienna p. 1
17. Kresse G., and Hafner J. Phys. Rev. B 47 (1993) 558
18. Kresse G., and Furthmüller J. Phys. Rev. B 54 (1996) 11169
19. Vanderbilt D. Phys. Rev. B 41 (1990) 7892
20. Ceperley D.M., and Alder B.J. Phys. Rev. Lett. 45 (1980) 566
21. Vosko S.H., Wilk L., and Nusair M. Can. J. Phys. 58 (1980) 1200
22. Singh D.J. Planewaves, Pseudopotentials and the LAPW Method (1994), Kluwer Academics, Norwell p.1
23. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
24. Lide D.R. CRC Handbook of Chemistry and Physics. 81st ed. (2000), CRC Press, Washington (Chapter 12), p. 19
25. Stampfl C., Mannstadt W., Asahi R., and Freeman A.J. Phys. Rev. B 63 (2001) 155106
26. Pulay P. Chem. Phys. Lett. 73 (1980) 393
27. Jónsson H., Mills G., and Jacobsen K.W. Classical and Quantum Dynamics in Condensed Phase Simulations (1998), World Scientific, Singapore p. 1
28. Kim C., and Chung Y.-C. J. Solid State Chem. 178 (2005) 47
29. Kim C., Kang I.-Y., and Chung Y.-C. Program & Abstracts, EnCeRa 04, The 3rd International Symposium on the Science of Engineering Ceramics in Conjunction with the 12th International Seminar on Core University Program between Japan and Korea. The Ceramic Society of Japan, Osaka (2004) 69
30. Schomaker V., and Stevenson D.P. J. Am. Chem. Soc. 63 (1941) 37