Structure, magnetism, and adhesion at Cr/Fe interfaces from density functional theory

Surface Science

Volumn 601, Issue 3, 2007, Pages 699-705

  Johnson, Donald F ^a   Jiang, D E ^b   Carter, Emily A ^c  

^a PRINCETON UNIVERSITY   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c Princeton University   (United States)

Author keywords

Adhesion; Chromium; Coatings; Density functional calculations; Iron; Metal metal interfaces; Metal metal magnetic thin film structures

Indexed keywords

ADHESION; CHROMIUM; IRON; MAGNETISM; PROBABILITY DENSITY FUNCTION; SURFACE STRUCTURE; THICK FILMS;

DENSITY FUNCTIONAL THEORY CALCULATIONS (DFT); GENERALIZED GRADIENT APPROXIMATION (GGA); METAL-METAL INTERFACES; METAL-METAL MAGNETIC THIN FILM STRUCTURES;

INTERFACES (MATERIALS);

EID: 33846372952     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2006.10.034     Document Type: Article

References (40)

1. Cote P.J., and Rickard C. Wear 241 (2000) 17
2. Blowes D. Science 295 (2002) 2024
3. Ellis A.S., Johnson T.M., and Bullen T.D. Science 295 (2002) 2060
4. Carter R.H. J. Pressure Vessel Tech. 128 (2006) 251
5. Dedkov Y.S., Fonin M., Rudiger U., and Guntherodt G. Appl. Phys. Lett. 81 14 (2002) 2584
6. Faupel J., Fuhse C., Meschede A., Herweg C., Krebs H.U., and Vitta S. Appl. Phys. A 79 (2004) 1233
7. Arya A., and Carter E.A. Surf. Sci. 560 (2004) 103
8. Arya A., and Carter E.A. J. Chem. Phys. 118 (2003) 8982
9. Lee J.H., Shishidou T., Zhao Y.-J., Freeman A.J., and Olson G.B. Phil. Mag. 85 (2005) 3683
10. Mizuno M., Tanaka I., and Adachi H. Acta Mater. 46 (1998) 1637
11. Jiang D.E., and Carter E.A. Acta Mater. 53 (2005) 4489
12. Pereiro M., Baldomir D., Man'kovsky S., and Arias J. Int. J. Quantum Chem. 91 (2003) 245
13. Pereiro M., Botana J., Baldomir D., Warda K., Wojtczak L., Man'kovsky S.V., Iglesias M., Pardo V., and Arias J.E. J. Magn. Magn. Mater. 290-291 (2005) 392
14. Walker T.G., Pang A.W., Hopster H., and Alvarado S.F. Phys. Rev. Lett. 69 (1992) 1121
15. Pfandzelter R., Ostwald M., and Winter H. Phys. Rev. B 63 (2001) 140406
16. Herper H.C., Hoffman E., and Entel P. Phase Transit. 75 (2002) 185
17. Kellou A., and Aourag H. Phys. Status Solidi (B) 236 (2003) 166
18. Mirbt S., Eriksson O., Johansson B., and Skriver H.L. Phys. Rev. B 52 (1995) 15060
19. Pfandzelter R., Igel T., and Winter H. Phys. Rev. B 54 (1996) 4496
20. Venus D., and Heinrich B. Phys. Rev. B 53 (1996) R1773
21. Davies A., Stroscio J.A., Pierce D.T., and Celotta R.J. Phys. Rev. Lett. 76 (1996) 4175
22. Turek I., Freyss M., Weinberger P., Stoeffler D., and Dreyssé H. Phys. Rev. B 63 (2000) 024413
23. Kresse G., and Furthmüller J. Comput. Mater. Sci. 6 (1996) 15
24. Kresse G., and Furthmüller J. Phys. Rev. B 54 (1996) 11169
25. Blöchl P.E. Phys. Rev. B 50 (1994) 17953
26. Kresse G., and Joubert J. Phys. Rev. B 59 (1999) 1758
27. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
28. Jiang D.E., and Carter E.A. Phys. Rev. B 67 (2003) 214103
29. Cocula V., Pickard C.J., and Carter E.A. J. Chem. Phys. 123 (2005) 214101
30. Moroni E.G., Kresse G., Hafner J., and Furthmüller J. Phys. Rev. B 56 (1997) 15629
31. Methfessel M., and Paxton A.T. Phys. Rev. B 40 (1989) 3616
32. Acet M., Zähres H., Wasserman E.F., and Pepperhoff W. Phys. Rev. B 49 (1994) 6012
33. Kittel C. Introduction to Solid State Physics. Seventh ed. (1996), Wiley, New York
34. Cottenier S., De Vries B., Meersschaut J., and Rots M. J. Phys.: Condens. Matter 14 (2002) 3275
35. Kübler J., Höck K.-H., Sticht J., and Williams A.R. J. Phys. F 18 (1988) 469
36. Freyss M., Stoeffler D., and Dreyssé H. J. Appl. Phys. 81 (1997) 4363
37. Oda T., Pasquarello A., and Car R. Phys. Rev. Lett. 80 (1998) 3622
38. Christensen A., Jarvis E.A.A., and Carter E.A. In: Dressler R.A., and Ng C. (Eds). Chemical Dynamics in Extreme Environments. Advanced Series in Physical Chemistry vol. 11 (2001), World Scientific, Singapore 490
39. Christensen A., and Carter E.A. J. Chem. Phys. 114 (2001) 5816
40. In: Woodruff D.P. (Ed). Surface Alloys and Alloy Surfaces. The Chemical Physics of Solid Surfaces vol. 10 (2002), Elsevier, Amsterdam