Interatomic potential for the structure and energetics of tetrahedrally coordinated silica polymorphs

Physical Review B - Condensed Matter and Materials Physics

Volumn 75, Issue 23, 2007, Pages

  Yu, Jianguo ^a   Phillpot, Simon R ^a   Sinnott, Susan B ^a  

^a University of Florida   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34347390841     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.75.233203     Document Type: Article

References (27)

1. P. J. Heaney, in Silica: Physical Behavior, Geochemistry and Materials Applications, edited by, P. J. Heaney,,, C. T. Prewitt,, and, G. V. Gibbs, (Mineralogical Society of America, Washington, D.C., 1994), Vol. 29, p. 1.
2. R. J. Hemley, C. T. Prewitt, and K. J. Kingma, in Silica: Physical Behavior, Geochemistry and Materials Applications, edited by, P. J. Heaney,,, C. T. Prewitt,, and, G. V. Gibbs, (Mineralogical Society of America, Washington, D.C., 1994), Vol. 29, p. 41.
3. C. R. Helms and B. E. Deal, The Physics and Chemistry of Si O2 and the Si-Si O2 Interface 2 (Plenum Press, New York, 1993).
4. T. Demuth, Y. Jeanvoine, J. Hafner, and J. G. Angyan, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/11/19/306 11, 3833 (1999).
5. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.64.1045 64, 1045 (1992).
6. B. W. H. van Beest, G. J. Kramer, and R. A. van Santen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.64.1955 64, 1955 (1990).
7. S. Tsuneyuki, M. Tsukada, H. Aoki, and Y. Matsui, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.61.869 61, 869 (1988).
8. A. C. T. van Duin, A. Strachan, S. Stewman, Q. Zhang, X. Xu, and W. A. Goddard III, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp0276303 107, 3803 (2003).
9. I. Saika-Voivod, F. Sciortino, T. Grande, and P. H. Poole, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.70.061507 70, 061507 (2004).
10. T. Watanabe, H. Fujiwara, H. Noguchi, T. Hoshino, and I. Ohdomari, Jpn. J. Appl. Phys., Part 2 JAPLD8 0021-4922 10.1143/JJAP.38.L366 38, L366 (1999).
11. A. Yasukawa, JSME Int. J., Ser. A JJMMEQ 1340-8046 39, 313 (1996).
12. S. R. Billeter, A. Curioni, D. Fischer, and W. Andreoni, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.155329 73, 155329 (2006).
13. P. Tangney and S. Scandolo, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1513312 117, 8898 (2002).
14. J. Yu, S. B. Sinnott, and S. R. Phillpot, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.085311 75, 085311 (2007).
15. M. Parrinello and A. Rahman, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.328693 52, 7182 (1981).
16. P. Richet, Y. Bottinga, L. Denielou, J. P. Petitet, and C. Tequi, Geochim. Cosmochim. Acta GCACAK 0016-7037 10.1016/0016-7037(82)90383-0 46, 2639 (1982).
17. CRC Handbook of Chemistry and Physics, 64th ed. (CRC, Boca Raton, FL, 1983).
18. I. Petrovic, P. J. Heaney, and A. Navrotsky, Phys. Chem. Miner. PCMIDU 0342-1791 23, 119 (1996).
19. N. R. Keskar and J. R. Chelikowsky, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.1 46, 1 (1992).
20. K. deBoer, A. P. J. Jansen, and R. A. van Santen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.12579 52, 12579 (1995).
21. R. W. G. Wyckoff, Crystal Structures, 4th ed. (Interscience, New York, 1974).
22. L. Levien, C. T. Prewitt, and D. J. Weidner, Am. Mineral. AMMIAY 0003-004X 65, 920 (1980).
23. J. J. Pluth, J. V. Smith, and J. Faber, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.334545 57, 1045 (1985).
24. A. F. Wright and M. S. Lehmann, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(81)90449-7 36, 371 (1981).
25. A. F. Wright and A. J. Leadbetter, Philos. Mag. PHMAA4 0031-8086 31, 1391 (1975).
26. K. Kihara, Z. Kristallogr. ZEKRDZ 0044-2968 148, 237 (1978).
27. J. R. Smyth, J. V. Smith, G. Artioli, and A. Kvicket, J. Phys. Chem. JPCHAX 0022-3654 91, 988 (1987).