Molecular-dynamics simulation of carbon in the clathrate structures

Materials Science and Engineering B

Volumn 64, Issue 2, 1999, Pages 123-129

  Sekkal, W ^a   Abderahmane, S Ait ^a   Terki, R ^a   Certier, M ^b   Aourag, H ^a  

^a UNIVERSITY OF SIDI BEL ABBES   (Algeria)

^b LSOM IUT Mesures Physiques   (France)

Author keywords

Clathrate structures; Ground state properties; Lennard Jones potential; Molecular dynamics calculations

Indexed keywords

CARBON;

CARBON INORGANIC COMPOUNDS; COMPUTER SIMULATION; CRYSTAL LATTICES; ELASTIC MODULI; ELASTICITY; GROUND STATE; LATTICE CONSTANTS; SEMICONDUCTING DIAMONDS; THERMODYNAMIC PROPERTIES;

CLATHRATE STRUCTURES; COHESIVE ENERGY; EQUILIBRIUM LATTICE CONSTANTS; LENNARD-JONES POTENTIAL;

MOLECULAR DYNAMICS;

EID: 0344210968     PISSN: 09215107     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0921-5107(99)00161-0     Document Type: Article

References (24)

1. Fischer J.E., Heiney P.A. J. Phys. Chem. Solids. 54:1993;1725.
2. Eltsky A.V., Smirov B.M. Uspekhi fiz. Nauk. 163:1993;33.
3. Kroto H.W., Fischer J.E. Cox D.E. The Fullerenes. 1993;Pergamon Press, Oxford.
4. Kratschmer W. Nuovo Cimento A. 107:1994;1077.
5. Buntar V. Phys. Rev. Lett. A. 184:1993;131.
6. Sekkal W., Krallafa A., Aourag H. Phys. Stat. Sol. (b). 201:1997;355.
7. Sekkal W., Aourag H., Certier M. Comp. Mater. Sci. 9:1998;295.
8. Cheng A., Klein M.L. Phys. Rev. B. 46:1992;4958.
9. Pickholz M., Gamba Z. Phys. Rev. B. 53:1996;2159.
10. Kniaz K., Girifalco L.A., Fisher J.E. J. Phys. Chem. 99:1995;16804.
11. Sprik M., Klein M.L. J. Phys. Chem. 98:1994;9297.
12. Girifalco L.A. Phys. Rev. B. 52:1995;9910.
13. Zubov V.I., Tretiakov N.P., Sanchez J.F., Caparica A.A. Phys. Rev. B. 53:1996;12080.
14. Adams G.B., Keelle M.O., Demkov A.A., Sankey O.F.S., Huang Y.M. Phys. Rev. B. 49:1994;8048.
15. Lennard-Jones J.E. Proc. R. Soc. A. 106:1924;463.
16. Mehl M.J. Phys. Rev. B. 47:1993;2493.
17. Murnaghan F.D. Proc. Natl. Acad. Sci. USA. 30:1944;5390.
18. Saito S., Oshiyama S. Phys. Rev. Lett. 66:1991;2637.
19. Donohue J. The structure of element. 1974;Wiley, New-York.
20. Mc Skimin H.J., Andreatch Jr P. J. Appl. Phys. 43:1972;985.
21. GschneidnerJr K. Solid State Phys. 16:1964;275.
22. Tersoff J. Phys. Rev. Lett. 61:1988;2879.
23. Kawada H., Fujii Y., Nakao H., Murakami Y., Watanuki T., Suematsu H., Kikuchi K., Achiba Y., Ikemoto I. Phys. Rev. B51:1995;8723.
24. H.O. Pierson, Handbook of carbon, graphite, diamond and fullerenes: properties, processing, and applications, 1993.