Diffusion of a vacancy on Fe(1 0 0): A molecular-dynamics study

Computational Materials Science

Volumn 44, Issue 4, 2009, Pages 1366-1370

  Papanicolaou, N I ^a,b   Chamati, H ^c  

^a UNIVERSITY OF IOANNINA   (Greece)

^b UNIVERSITY OF CYPRUS   (Cyprus)

^c INSTITUTE OF SOLID STATE PHYSICS   (Bulgaria)

Author keywords

BCC Fe(1 0 0); Computer simulations; EAM; Iron; Surface diffusion

Indexed keywords

ATOMIC PHYSICS; COMPUTER SIMULATION; DIFFUSION; DIFFUSION IN SOLIDS; DYNAMICS; ELECTROABSORPTION MODULATORS; LIGHT ABSORPTION; VACANCIES;

ARRHENIUS BEHAVIORS; BCC-FE(1 0 0); BODY POTENTIALS; COMPUTER SIMULATIONS; DIFFUSION COEFFICIENTS; DIFFUSION MECHANISMS; DIFFUSIVITY; EAM; INTER ATOMIC POTENTIAL; IRON; MASS TRANSPORT; MIGRATION ENERGIES; SECOND LAYER; SURFACE LAYERING; SURFACE VACANCIES; TEMPERATURE DEPENDENCES; VACANCY DIFFUSION;

SURFACE DIFFUSION;

EID: 58549118237     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.09.006     Document Type: Article

References (23)

1. Kellogg G. Surf. Sci. Rep. 21 (1994) 1
2. Seebauer E.G., and Allen C.E. Prog. Surf. Sci. 49 (1995) 265
3. Tsong T.T. Prog. Surf. Sci. 67 (2001) 235
4. Barth J.V. Surf. Sci. Rep. 40 (2000) 75
5. Ala-Nissila T., Ferrando R., and Ying S.C. Adv. Phys. 51 (2002) 949
6. Girard J.C., Samson Y., Gauthier S., Roussel S., and Klein J. Surf. Sci. 302 (1994) 73
7. Murty M.V.R., Cowles B., and Cooper B.H. Surf. Sci. 415 (1998) 328
8. Mikhin A.G., and de Diego N. Surf. Sci. 418 (1998) 166
9. van Gastel R., Somfai E., van Albada S.B., van Saarloos W., and Frenken J.W.M. Surf. Sci. 521 (2002) 10
10. Somfai E., van Gastel R., van Albada S.B., van Saarloos W., and Frenken J.W.M. Surf. Sci. 521 (2002) 26
11. Chan H.Y.H., Dev K., and Seebauer E.G. Phys. Rev. B 67 (2003) 035311
12. Brihuega I., Custance O., and Gómez-Rodríguez J.M. Phys. Rev. B 70 (2004) 165410
13. Basham M., Mulheran P.A., and Montalenti F. Surf. Sci. 565 (2004) 289
14. Wen Y.-N., Zhang J.-M., and Xu K.-W. Appl. Surf. Sci. 253 (2007) 8620
15. Daw M.S., and Baskes M.I. Phys. Rev. B 29 (1984) 6443
16. Daw M.S., Foiles S.M., and Baskes M.I. Mater. Sci. Rep. 9 (1993) 251
17. Mishin Y. Interatomic potentials for metals. In: Yip S. (Ed). Handbook of Materials Modeling vol. 1 (2005), Springer, Dodrecht 459 (Chapter 2.2)
18. Chamati H., Papanicolaou N.I., Mishin Y., and Papaconstantopoulos D.A. Surf. Sci. 600 (2006) 1793
19. Chamati H., and Papanicolaou N.I. J. Optoelectron. Adv. Mater. 9 (2007) 159
20. Humphrey W., Dalke A., and Schulten K. J. Mol. Graph. 14 (1996) 33.
21. Wuttig M., and Liu X. Ultrathin metal films: magnetic and structural properties. Springer Tracts in Modern Physics (2004), Springer, Berlin
22. Henkelman G., Jóhannesson G., and Jónsson H. Methods for finding saddle points and minimum energy paths. Progress in Theoretical Chemistry and Physics vol. 5 (2000), Kluwer Academic Press p. 269 (Chapter 10)
23. Henkelman G., and Jónsson H. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points. J. Chem. Phys. 113 (2000) 9978