Metal-to-semimetal transition in supercooled liquid silicon

Physical Review Letters

Volumn 92, Issue 17, 2004, Pages

  Ashwin, S S ^a   Waghmare, U V ^a   Sastry, Srikanth ^a  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CRYSTAL ATOMIC STRUCTURE; ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; EXTRAPOLATION; FERMI LEVEL; HAMILTONIANS; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; SUPERCOOLING; THERMODYNAMICS;

COMPUTATIONAL COSTS; DENSITY FUNCTIONAL THEORY (DFT); METAL-TO-SEMIMETAL TRANSITION; STILLINGER-WEBER (SW) POTENTIAL;

SILICON;

EID: 2942675031     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.92.175701     Document Type: Article

References (33)

1. F. Spaepen and D. Turnbull, in Laser-Solid Interactions and Laser Processing-1978, edited by S. D. Ferris, H. J. Leamy, and J. M. Poate, AIP Conf. Proc. No. 50 (AIP, New York, 1978), p. 73.
2. B. G. Bagley and H. S. Chen, in Laser-Solid Interactions and Laser Processing-1978 [Ref. [1], p. 97].
3. L. I. Aptekar, Sov. Phys. Dokl. 24, 993 (1979).
4. E. P. Donovan et al., J. Appl. Phys. 57, 1795 (1985).
5. M. O. Thompson et al., Phys. Rev. Lett. 52, 2360 (1984).
6. S. K. Deb et al., Nature (London) 414, 528 (2001).
7. W. D. Luedtke and U. Landman, Phys. Rev. B 37, 4656 (1988).
8. C. A. Angell, S. S. Borick, and M. Grabow, J. Non-Cryst. Solids 205-207, 463 (1996).
9. Srikanth Sastry and C. Austen Angell, Nature Materials 2, 739 (2003).
10. F. H. Stillinger and T. A. Weber, Phys. Rev. B 31, 5262 (1985).
11. Proceedings of the NATO Advanced Research Workshop, Volga River, edited by V.V. Brazhkin. S.V. Buldyrev, V N. Ryzhov, and H. E. Stanley (Kluwer, Dordrecht, 2002).
12. P. H. Poole, F. Sciortino, U. Essmann, and H E. Stanley, Nature (London) 360, 324 (1992).
13. O. Mishima and H. E. Stanley, Nature (London) 396, 329 (1998).
14. I. Saika-Voivod, F. Sciortino, and P. H. Poole, Phys. Rev. E 63, 011202 (2001).
15. J. N. Glosli and F. H. Ree, Phys. Rev. Lett. 82, 4659 (1999).
16. Y. Katayama et al., Nature (London) 403, 170 (2000).
17. V.V. Brazhkin et al., High Press. Res. 15, 267 (1997).
18. V. M. Glazov, S. N. Chizhevskaya, and N. N. Glagoleva, Liquid Semiconductors (Plenum, New York, 1969).
19. M. L. Cohen and V. Heine, Solid State Phys. 24, 37 (1970).
20. V. Heine and I. Abarenkov, Philos. Mag. 9, 451 (1964).
21. W. A. Harrison, Pseudopotentials in the Theory of Metals (Benjamin, New York, 1966).
22. N. W. Ashcroft and J. Lekner, Phys. Rev. 145, 83 (1966).
23. J. Heremans, C. H. Olk, G. L. Eesley, J. Steinbeck, and G. Dresselhaus, Phys. Rev. Lett. 60, 452 (1988).
24. M. C. Payne et al., Rev. Mod. Phys. 64, 1045 (1992).
25. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
26. J. Dong and D. A. Drabold, Phys. Rev. Lett. 80, 1928 (1998).
27. D. J. Thouless, Phys. Rep. 13, 93 (1974).
28. P. B. Allen and J. Q. Broughton, J. Phys. Chem. 91, 4964 (1987).
29. -1) and used the experimental transition temperature of 1400 K.
30. 3.
31. The percentage of atoms displaying 3, 4, and 5 coordination (where a distance cutoff of 0.293 nm is used) are, respectively: 0.268, 82.8, and 16.1 for T = 1055 K; 0.74, 42.9, and 46.7 for T = 1082 K; 2.36, 28.9, and 47 for T = 1711 K. The concentration of dangling bonds (associated with three coordinated atoms), at low temperatures where they may be expected to play a significant role, is minimal, and would not have a substantial influence on the conductivity changes.
32. D. R. Hamann, M. Schluter, and C. Chiang, Phys. Rev. Lett. 43, 1494 (1979).
33. A. P. Smith and N. W. Ashcroft, Phys. Rev. Lett. 59, 1365 (1985).