Effective potentials for quasicrystals from ab-initio data

Philosophical Magazine

Volumn 86, Issue 6-8, 2006, Pages 753-758

  Brommer, P ^a   Gahler F ^a  

^a UNIVERSITY OF STUTTGART   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CRYSTAL ATOMIC STRUCTURE; PARAMETER ESTIMATION; POTENTIAL ENERGY;

AB-INITIO DARA; ATOMISTIC SIMULATIONS;

QUASICRYSTALS;

EID: 31444444180     PISSN: 14786435     EISSN: 14606992     Source Type: Journal    
DOI: 10.1080/14786430500333349     Document Type: Review

References (13)

1. F. Rösch, Ch. Rudhart, J. Roth, et al., Phys. Rev. B 72 014128 (2005).
2. S. Hocker, F. Gähler and P. Brommer, Phil. Mag. 86 1051 (2006).
3. F. Ercolessi and J.B. Adams, Europhys. Lett. 26 583 (1994).
4. M.S. Daw and M.I. Baskes, Phys. Rev. B 29 6443 (1984).
5. F. Ercolessi, M. Parrinello and E. Tosatti, Phil. Mag. A 58 213 (1988).
6. G. Kresse and J. Hafner, Phys. Rev. B 47 558 (1993).
7. G. Kresse and J. Furthmüller, Phys. Rev. B 54 11169 (1996).
8. P.E. Blöchl. Phys. Rev. B 50 17953 (1994).
9. G. Kresse and D. Joubert, Phys. Rev. B 59 1758 (1999).
10. M.J.D. Powell, Comput. J. 7 303 (1965).
11. A. Corana, M. Marchesi, C. Martini, et al., ACM Trans. Math. Software 13 262 (1987).
12. M.A. Chernikov, H.R. Ott, A. Bianchi, et al., Phys. Rev. Lett. 80 321 (1998).
13. M. Mihalkovič and M. Widom, Phil. Mag. 86 519 or 557 (2006).