Free energy molecular dynamics simulations of pulsed-laser-irradiated Si O2: Si-Si bond formation in a matrix of Si O2

Applied Physics Letters

Volumn 86, Issue 20, 2005, Pages 1-3

  Boero, Mauro ^a   Oshiyama, Atsushi ^a   Silvestrelli, Pier Luigi ^b,c   Murakami, Kouichi ^a  

^a UNIVERSITY OF TSUKUBA   (Japan)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^c UNIVERSITY OF PADOVA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DIFFUSION; FREE ENERGY; MOLECULAR DYNAMICS; NANOSTRUCTURED MATERIALS; SILICA; SILICON;

ELECTRON EXCITATIONS; LASER EXCITATIONS; MELTING TEMPERATURE; MOLECULAR DYNAMICS SIMULATION;

PULSED LASER DEPOSITION;

EID: 20844451583     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1929879     Document Type: Article

References (17)

1. T. Nohira, K. Yasuda, and Y. Ito, Nat. Mater. 2, 397 (2003).
2. K. Hirao, Internal Modifications inside Glasses with a Femtosecond Pulse Laser, Japan Soc. of Appl. Physics, 64th Autumn Meeting, Ext. Abstract 31p-F-6, 2003.
3. N. Fukata, Y. Yamamoto, K. Murakami, M. Hase, and M. Kitajima, Appl. Phys. Lett. 83, 3495 (2003).
4. K. Murakami, H. C. Gerristen, H. van Brug, F. Bijkerk, F. W. Saris, and M. J. van der Wiel, Phys. Rev. Lett. 56, 655 (1986).
5. K. Sokolowski-Tinten, C. Blome, C. Dietrich, A. Tarasevitch, M. Horn von Hoegen, and D. von der Linde, Phys. Rev. Lett. 87, 225701 (2001).
6. L. Huang, J. P. Callan, E. N. Glezer, and E. Mazur, Phys. Rev. Lett. 80, 185 (1998).
7. A. Alavi, J. Kohanoff, M. Parrinello, and D. Frenkel, Phys. Rev. Lett. 73, 2599 (1994).
8. CPMD code by J. Hutter et al., Max-Planck-Institut FKF and IBM Zurich Research Laboratory, 1995-2003.
9. P. L. Silvestrelli, A. Alavi, M. Parrinello, and D. Frenkel, Phys. Rev. Lett. 77, 3149 (1996).
10. P. L. Silvestrelli and M. Parrinello, J. Appl. Phys. 83, 2478 (1998).
11. K. Seibert, G. C. Cho, W. Kütt, H. Kurz, D. H. Reitze, J. I. Dadap, H. Ahn, M. C. Downer, and A. Malvezzi, Phys. Rev. B 42, 2842 (1990).
12. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
13. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
14. M. Boero, A. Pasquarello, J. Sarnthein, and R. Car, Phys. Rev. Lett. 78, 887 (1997).
15. M. Boero, A. Oshiyama, and P. L. Silvestrelli, Phys. Rev. Lett. 91, 206401 (2003).
16. Computer Simulation in Chemical Physics, edited by, M. P. Allen, and, D. J. Tildesley, (Kluwer, Dordrecht, 1992).
17. The O activation energy (Ea =1.36 eV), estimated via Arrhenius plot, agrees with the experiment in: M. A. Lamkin, F. L. Riley, and R. J. Fordham, J. Eur. Ceram. Soc. 10, 347 (1992).