Surface energies of hcp metals using equivalent crystal theory

Computational Materials Science

Volumn 46, Issue 2, 2009, Pages 524-530

  Aghemenloh, E ^a   Idiodi, J O A ^a   Azi, S O ^a  

^a UNIVERSITY OF BENIN   (Nigeria)

Author keywords

ECT; hcp metals; Surface energy

Indexed keywords

AB INITIO CALCULATIONS; BCC METALS; ECT; HCP METALS; SURFACE ENERGIES; SURFACE ENERGY;

INTERFACIAL ENERGY; SURFACE CHEMISTRY; SURFACE TENSION;

METALS;

EID: 67651115656     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.04.011     Document Type: Article

References (39)

1. Lang N.D., and Kohn W. Phys. Rev. B 1 (1970) 4555
2. Monnie R., and Perdew J.P. Phys. Rev. B 17 (1978) 2595
3. Ho K.M., and Bohnen K.P. Phys. Rev. B 32 (1985) 3446
4. Feibelman P.J. Phys. Rev. B 46 (1992) 2532
5. Polatogiou H.M., Methfessel M., and Scheffler M. Phys. Rev. B 48 (1993) 1877
6. Methfessel M., Hennig D., and Scheffler M. Phys. Rev. B 46 (1992) 4816
7. Skriver H.L., and Rosengaard N.M. Phys, Rev. B 46 (1992) 7157
8. Finnis M.W., and Sinclair J.E. Philos. Mag. A 50 (1984) 45
9. Foiles S.M., Baskes M.I., and Daws M.S. Phys. Rev. B 33 (1986) 7893
10. Daws M.S., and Baskes M.I. Phys. Rev. B 29 (1984) 6443
11. Cai J., and Ye Y.Y. Phys. Rev. B 54 (1996) 8398
12. Idiodi J.O.A., and Obodi G.N. Phys. Stat. Sol. (b) 177 (1993) 281
13. Baskes M.I. Phys. Rev. B 46 (1992) 2727
14. Johnson R.A. Phys. Rev. B 37 (1988) 3924
15. Jacobsen K.W., Norskov J.K., and Puska M.J. Phys. Rev. B 35 (1987) 7423
16. Smith J.R., and Banerjea A. Phys. Rev. Lett. 59 (1987) 2451
17. deBoer F.R., Boom R., Mattens W.C.M., Miedema A.R., and Niessen A.K. Cohesion in Metals (1988), North-Holland, Amsterdam
18. Perdew J.P., Tran H.Q., and Smith E.D. Phys. Rev. B 42 (1990) 11627
19. Smith J.R., Perry T., Banerjea A., Ferrante J., and Bozzolo G. Phys. Rev. B 44 (1991) 6444
20. Smith J.R., and Banerjea A. Phys. Rev. B 37 (1988) 10411
21. Aghemenloh E., and Idiodi J.O.A. J. Nig. Ass. Math. Phys. 2 (1998) 271
22. Aghemenloh E., and Idiodi J.O.A. J. Nig. Ass. Math. Phys. 6 (2002) 253
23. Khare S.V., and Einstein T.L. Surf. Sci. 314 (1994) 857
24. Rodriguez A.M., Bozzolo G., and Ferrante J. Surf. Sci. 289 (1993) 100
25. Rose J.H., Smith J.R., and Ferrante J. Phys. Rev. B 29 (1984) 2963
26. Rose J.H., Smith J.R., and Ferrante J. Phys. Rev. B 28 (1983) 1835
27. Baskes M.I., and Johnson R.A. Model. Simul. Mater. Sci. Eng. 2 (1994) 147
28. Oh D.J., and Johnson R.A. J. Mater. Res. 3 (1988) 471
29. Bozzolo G., Ferrante J., and Rodriguez A.M. J. Comput. Aided Mater. Design 1 (1993) 285
30. Mansfield M., and Needs R.J. Phys. Rev. B 43 (1991) 8829
31. Kittle C. Introduction to solid state physics. fifth ed. (1976), John Wiley and Sons pp. 31-85
32. Igarashi M., Khantha M., and Vitek V. Philos. Mag. B 63 (1991) 603
33. Pasianot R.C., and Savino E.J. Phys. Rev. B 45 (1992) 12704
34. Ruiz D.H., Gribaudo L.M., and Monti A.M. Mater. Res. 8 4 (2005) 431
35. Vitos L., Ruban A.V., Skriver H.L., and Kollar J. Surf. Sci. 411 (1998) 186
36. Wang D.D., Zhang J.M., and Xu K.W. Surf. Sci. 600 (2006) 2990
37. Tyson W.R., and Miller W.A. Surf. Sci. 62 (1977)
38. Friedel J. Ann. Phys. 1 (1976) 257
39. Zypman F.R., and Ferrante J. Comput. Mater. Sci. 42 (2008) 659