SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 76, Issue 1, 2007, Pages

From four- to six-coordinated silica: Transformation pathways from metadynamics

(4) Martoňák, Roman a,b Donadio, Davide b Oganov, Artem R b,c Parrinello, Michele b

a Faculty of Natural Sciences (Slovakia)

b ETH ZURICH (Switzerland)

c MOSCOW STATE UNIVERSITY (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34547543381 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.76.014120 Document Type: Article

Times cited : (52)

References (49)

1
- 0345569823
- Reviews of Mineralogy Vol. 29 (Mineral Society of America, Washington D.C.
- R. J. Hemley, C. T. Prewitt, and K. J. Kingma, in Silica: Physical Behaviour, Geochemistry, and Materials Applications, Reviews of Mineralogy Vol. 29 (Mineral Society of America, Washington D.C., 1994), p. 41.
- (1994) Silica: Physical Behaviour, Geochemistry, and Materials Applications , pp. 41
- Hemley, R.J.¹ Prewitt, C.T.² Kingma, K.J.³

2
- 0025665976
- NATUAS 0028-0836 10.1038/347267a0
- Y. Tsuchida and T. Yagi, Nature (London) NATUAS 0028-0836 10.1038/347267a0 347, 267 (1990).
- (1990) Nature (London) , vol.347 , pp. 267
- Tsuchida, Y.¹ Yagi, T.²

3
- 12044256618
- PRLTAO 0031-9007 10.1103/PhysRevLett.70.3927
- K. J. Kingma, R. J. Hemley, H. K. Mao, and D. R. Veblen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.70.3927 70, 3927 (1993).
- (1993) Phys. Rev. Lett. , vol.70 , pp. 3927
- Kingma, K.J.¹ Hemley, R.J.² Mao, H.K.³ Veblen, D.R.⁴

4
- 0030738193
- NATUAS 0028-0836 10.1038/41066
- L. S. Dubrovinsky, S. K. Saxena, P. Lazor, R. Ahuja, O. Eriksson, J. M. Wills, and B. Johansson, Nature (London) NATUAS 0028-0836 10.1038/41066 388, 362 (1997).
- (1997) Nature (London) , vol.388 , pp. 362
- Dubrovinsky, L.S.¹ Saxena, S.K.² Lazor, P.³ Ahuja, R.⁴ Eriksson, O.⁵ Wills, J.M.⁶ Johansson, B.⁷

5
- 42749108685
- PRLTAO 0031-9007 10.1103/PhysRevLett.87.155503
- J. Haines, J. M. Léger, F. Gorelli, and M. Hanfland, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.155503 87, 155503 (2001).
- (2001) Phys. Rev. Lett. , vol.87 , pp. 155503
- Haines, J.¹ Léger, J.M.² Gorelli, F.³ Hanfland, M.⁴

6
- 2442480358
- PEPIAM 0031-9201
- L. S. Dubrovinsky, N. A. Dubrovinskaia, V. Prakapenka, F. Seifert, F. Langenhorst, V. Dmitriev, H.-P. Weber, and T. L. Bihan, Phys. Earth Planet. Inter. PEPIAM 0031-9201 143-144, 231 (2004).
- (2004) Phys. Earth Planet. Inter. , vol.143-144 , pp. 231
- Dubrovinsky, L.S.¹ Dubrovinskaia, N.A.² Prakapenka, V.³ Seifert, F.⁴ Langenhorst, F.⁵ Dmitriev, V.⁶ Weber, H.-P.⁷ Bihan, T.L.⁸

7
- 23244437544
- SCIEAS 0036-8075 10.1126/science.1114879
- Y. Kuwayama, K. Hirose, N. Sata, and Y. Ohishi, Science SCIEAS 0036-8075 10.1126/science.1114879 309, 923 (2005).
- (2005) Science , vol.309 , pp. 923
- Kuwayama, Y.¹ Hirose, K.² Sata, N.³ Ohishi, Y.⁴

8
- 0347056384
- NATUAS 0028-0836 10.1038/334052a0
- R. J. Hemley, A. P. Jephcoat, H. K. Mao, L. C. Ming, and M. H. Manghnani, Nature (London) NATUAS 0028-0836 10.1038/334052a0 334, 52 (1988).
- (1988) Nature (London) , vol.334 , pp. 52
- Hemley, R.J.¹ Jephcoat, A.P.² Mao, H.K.³ Ming, L.C.⁴ Manghnani, M.H.⁵

9
- 0024530594
- NATUAS 0028-0836 10.1038/339209a0
- S. Tsuneyuki, Y. Matsui, H. Aoki, and M. Tsukada, Nature (London) NATUAS 0028-0836 10.1038/339209a0 339, 209 (1989).
- (1989) Nature (London) , vol.339 , pp. 209
- Tsuneyuki, S.¹ Matsui, Y.² Aoki, H.³ Tsukada, M.⁴

10
- 0041406631
- PRBMDO 0163-1829 10.1103/PhysRevB.49.9336
- N. Binggeli, J. R. Chelikowsky, and R. M. Wentzcovitch, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.9336 49, 9336 (1994).
- (1994) Phys. Rev. B , vol.49 , pp. 9336
- Binggeli, N.¹ Chelikowsky, J.R.² Wentzcovitch, R.M.³

11
- 0002155679
- PRLTAO 0031-9007 10.1103/PhysRevLett.73.98
- M. S. Somayazulu, S. M. Sharma, and S. K. Sikka, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.73.98 73, 98 (1994).
- (1994) Phys. Rev. Lett. , vol.73 , pp. 98
- Somayazulu, M.S.¹ Sharma, S.M.² Sikka, S.K.³

12
- 11744254979
- PRLTAO 0031-9007 10.1103/PhysRevLett.80.2149
- R. M. Wentzcovitch, C. da Silva, J. R. Chelikowsky, and N. Binggeli, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.2149 80, 2149 (1998).
- (1998) Phys. Rev. Lett. , vol.80 , pp. 2149
- Wentzcovitch, R.M.¹ Da Silva, C.² Chelikowsky, J.R.³ Binggeli, N.⁴

13
- 0001398601
- PRBMDO 0163-1829 10.1103/PhysRevB.61.3303
- D. W. Dean, R. M. Wentzcovitch, N. Keskar, J. R. Chelikowsky, and N. Binggeli, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.3303 61, 3303 (2000).
- (2000) Phys. Rev. B , vol.61 , pp. 3303
- Dean, D.W.¹ Wentzcovitch, R.M.² Keskar, N.³ Chelikowsky, J.R.⁴ Binggeli, N.⁵

14
- 0034908573
- PRBMDO 0163-1829 10.1103/PhysRevB.63.104106
- D. D. Klug, R. Rousseau, K. Uehara, M. Bernasconi, Y. Le Page, and J. S. Tse, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.104106 63, 104106 (2001).
- (2001) Phys. Rev. B , vol.63 , pp. 104106
- Klug, D.D.¹ Rousseau, R.² Uehara, K.³ Bernasconi, M.⁴ Le Page, Y.⁵ Tse, J.S.⁶

15
- 13844291261
- PRBMDO 0163-1829 10.1103/PhysRevB.70.224101
- C. Campana, M. H. Müser, J. S. Tse, D. Herzbach, and P. Schöffel, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.224101 70, 224101 (2004).
- (2004) Phys. Rev. B , vol.70 , pp. 224101
- Campana, C.¹ Müser, M.H.² Tse, J.S.³ Herzbach, D.⁴ Schöffel, P.⁵

16
- 1542461959
- R. E. Cohen, in Silica: Physical Behavior, Geochemistry and Materials Applications (Ref.), p. 369.
- Silica: Physical Behavior, Geochemistry and Materials Applications , pp. 369
- Cohen, R.E.¹

17
- 0000629437
- PRLTAO 0031-9007 10.1103/PhysRevLett.80.2145
- D. M. Teter, R. J. Hemley, G. Kresse, and J. Hafner, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.2145 80, 2145 (1998).
- (1998) Phys. Rev. Lett. , vol.80 , pp. 2145
- Teter, D.M.¹ Hemley, R.J.² Kresse, G.³ Hafner, J.⁴

18
- 0000978306
- JCOMEL 0953-8984 10.1088/0953-8984/11/19/306
- T. Demuth, Y. Jeanvoine, J. Hafner, and J. G. Ángyán, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/11/19/306 11, 3833 (1999).
- (1999) J. Phys.: Condens. Matter , vol.11 , pp. 3833
- Demuth, T.¹ Jeanvoine, Y.² Hafner, J.³ Ángyán, J.G.⁴

19
- 16344378430
- PRBMDO 0163-1829 10.1103/PhysRevB.71.064104
- A. R. Oganov, M. J. Gillan, and G. D. Price, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.064104 71, 064104 (2005).
- (2005) Phys. Rev. B , vol.71 , pp. 064104
- Oganov, A.R.¹ Gillan, M.J.² Price, G.D.³

20
- 26144434487
- PRLTAO 0031-9007 10.1103/PhysRevLett.45.1196
- M. Parrinello and A. Rahman, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.1196 45, 1196 (1980).
- (1980) Phys. Rev. Lett. , vol.45 , pp. 1196
- Parrinello, M.¹ Rahman, A.²

21
- 29544440378
- EPSLA2 0012-821X 10.1016/j.epsl.2005.10.014
- A. R. Oganov, C. W. Glass, and S. Ono, Earth Planet. Sci. Lett. EPSLA2 0012-821X 10.1016/j.epsl.2005.10.014 241, 95 (2006).
- (2006) Earth Planet. Sci. Lett. , vol.241 , pp. 95
- Oganov, A.R.¹ Glass, C.W.² Ono, S.³

22
- 33745634670
- JCPSA6 0021-9606 10.1063/1.2210932
- A. R. Oganov and C. W. Glass, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2210932 124, 244704 (2006).
- (2006) J. Chem. Phys. , vol.124 , pp. 244704
- Oganov, A.R.¹ Glass, C.W.²

23
- 33751191844
- CPHCBZ 0010-4655 10.1016/j.cpc.2006.07.020
- C. W. Glass, A. R. Oganov, and N. Hansen, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2006.07.020 175, 713 (2006).
- (2006) Comput. Phys. Commun. , vol.175 , pp. 713
- Glass, C.W.¹ Oganov, A.R.² Hansen, N.³

24
- 0037458399
- PRLTAO 0031-9007 10.1103/PhysRevLett.90.075503
- R. Martoňák, A. Laio, and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.075503 90, 075503 (2003).
- (2003) Phys. Rev. Lett. , vol.90 , pp. 075503
- Martoňák, R.¹ Laio, A.² Parrinello, M.³

25
- 33746609016
- NMAACR 1476-1122 10.1038/nmat1696
- R. Martoňák, D. Donadio, A. R. Oganov, and M. Parrinello, Nat. Mater. NMAACR 1476-1122 10.1038/nmat1696 5, 623 (2006).
- (2006) Nat. Mater. , vol.5 , pp. 623
- Martoňák, R.¹ Donadio, D.² Oganov, A.R.³ Parrinello, M.⁴

26
- 0036790894
- PNASA6 0027-8424 10.1073/pnas.202427399
- A. Laio and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 10.1073/pnas.202427399 99, 12562 (2002).
- (2002) Proc. Natl. Acad. Sci. U.S.A. , vol.99 , pp. 12562
- Laio, A.¹ Parrinello, M.²

27
- 20144372370
- ZEKRDZ 0044-2968 10.1524/zkri.220.5.489.65078
- R. Martoňák, A. Laio, M. Bernasconi, C. Ceriani, P. Raiteri, F. Zipoli, and M. Parrinello, Z. Kristallogr. ZEKRDZ 0044-2968 10.1524/zkri.220.5.489.65078 220, 489 (2005).
- (2005) Z. Kristallogr. , vol.220 , pp. 489
- Martoňák, R.¹ Laio, A.² Bernasconi, M.³ Ceriani, C.⁴ Raiteri, P.⁵ Zipoli, F.⁶ Parrinello, M.⁷

28
- 0028710015
- JCADEQ 0920-654X 10.1007/BF00124016
- T. Huber, A. E. Torda, and W. F. van Gunsteren, J. Comput.-Aided Mol. Des. JCADEQ 0920-654X 10.1007/BF00124016 8, 695 (1994).
- (1994) J. Comput.-Aided Mol. Des. , vol.8 , pp. 695
- Huber, T.¹ Torda, A.E.² Van Gunsteren, W.F.³

29
- 19744381096
- PRBMDO 0163-1829 10.1103/PhysRevB.70.113403
- C. Ceriani, A. Laio, E. Fois, A. Gamba, R. Martoňák, and M. Parrinello, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.113403 70, 113403 (2004).
- (2004) Phys. Rev. B , vol.70 , pp. 113403
- Ceriani, C.¹ Laio, A.² Fois, E.³ Gamba, A.⁴ Martoňák, R.⁵ Parrinello, M.⁶

30
- 20444448166
- ACIEF5 1433-7851 10.1002/anie.200462760
- P. Raiteri, R. Martoňák, and M. Parrinello, Angew. Chem., Int. Ed. ACIEF5 1433-7851 10.1002/anie.200462760 44, 3769 (2005).
- (2005) Angew. Chem., Int. Ed. , vol.44 , pp. 3769
- Raiteri, P.¹ Martoňák, R.² Parrinello, M.³

31
- 29244487921
- NATUAS 0028-0836 10.1038/nature04439
- A. R. Oganov, R. Martoňák, A. Laio, P. Raiteri, and M. Parrinello, Nature (London) NATUAS 0028-0836 10.1038/nature04439 438, 1142 (2005).
- (2005) Nature (London) , vol.438 , pp. 1142
- Oganov, A.R.¹ Martoňák, R.² Laio, A.³ Raiteri, P.⁴ Parrinello, M.⁵

32
- 33644851708
- PRLTAO 0031-9007 10.1103/PhysRevLett.96.095502
- T. Ishikawa, H. Nagara, K. Kusakabe, and N. Suzuki, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.095502 96, 095502 (2006).
- (2006) Phys. Rev. Lett. , vol.96 , pp. 095502
- Ishikawa, T.¹ Nagara, H.² Kusakabe, K.³ Suzuki, N.⁴

33
- 27944479323
- PLEEE8 1063-651X 10.1103/PhysRevE.71.065701
- D. Quigley and M. I. J. Probert, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.71.065701 71, 065701 (2005).
- (2005) Phys. Rev. e , vol.71 , pp. 065701
- Quigley, D.¹ Probert, M.I.J.²

34
- 11944254490
- PRLTAO 0031-9007 10.1103/PhysRevLett.64.1955
- 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).
- (1990) Phys. Rev. Lett. , vol.64 , pp. 1955
- Van Beest, B.W.H.¹ Kramer, G.J.² Van Santen, R.A.³

35
- 0000689085
- PLEEE8 1063-651X 10.1103/PhysRevE.52.2893
- H. Grubmüller, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.52. 2893 52, 2893 (1995).
- (1995) Phys. Rev. e , vol.52 , pp. 2893
- Grubmüller, H.¹

36
- 41349095416
- PLEEE8 1063-651X 10.1103/PhysRevE.70.061507
- 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).
- (2004) Phys. Rev. e , vol.70 , pp. 061507
- Saika-Voivod, I.¹ Sciortino, F.² Grande, T.³ Poole, P.H.⁴

37
- 34547514493
- Computer code DL_POLY V2.14
- Computer code DL_POLY V2.14 (2003), W. Smith, M. Leslie and T. R. Forester, CCLRC (Daresbury Laboratory, Daresbury, Warrington WA4 4AD, England).
- (2003)
- Smith, W.¹ Leslie, M.² Forester, T.R.³

38
- 33750587438
- JCPSA6 0021-9606 10.1063/1.448118
- H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, and J. R. Haak, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.448118 81, 3684 (1984).
- (1984) J. Chem. Phys. , vol.81 , pp. 3684
- Berendsen, H.J.C.¹ Postma, J.P.M.² Van Gunsteren, W.F.³ Dinola, A.⁴ Haak, J.R.⁵

39
- 4243943295
- PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

40
- 33645426115
- PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
- N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
- (1991) Phys. Rev. B , vol.43 , pp. 1993
- Troullier, N.¹ Martins, J.L.²

41
- 0036827661
- CMMSEM 0927-0256 10.1016/S0927-0256(02)00325-7
- X. Gonze, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/S0927-0256(02) 00325-7 25, 478 (2002).
- (2002) Comput. Mater. Sci. , vol.25 , pp. 478
- Gonze, X.¹

42
- 1842816907
- PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188
- H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

43
- 34547499367
- Computer code CPMD V3.9 Copyright IBM Corp. 1990-2004, Copyright MPI fuer Festkoerperforschung Stuttgart 1997-2001).
- Computer code CPMD V3.9 Copyright IBM Corp. 1990-2004, Copyright MPI fuer Festkoerperforschung Stuttgart 1997-2001).

44
- 33645114660
- PRBMDO 0163-1829 10.1103/PhysRevB.73.094304
- N. Choudhury and S. L. Chaplot, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.094304 73, 094304 (2006).
- (2006) Phys. Rev. B , vol.73 , pp. 094304
- Choudhury, N.¹ Chaplot, S.L.²

45
- 0042091834
- SCIEAS 0036-8075 10.1126/science.225.4666.983
- F. H. Stillinger and T. A. Weber, Science SCIEAS 0036-8075 10.1126/science.225.4666.983 225, 983 (1984).
- (1984) Science , vol.225 , pp. 983
- Stillinger, F.H.¹ Weber, T.A.²

46
- 0029826148
- NATUAS 0028-0836 10.1038/384441a0
- R. J. Angel, N. L. Ross, F. Seifert, and T. F. Fliervoet, Nature (London) NATUAS 0028-0836 10.1038/384441a0 384, 441 (1996).
- (1996) Nature (London) , vol.384 , pp. 441
- Angel, R.J.¹ Ross, N.L.² Seifert, F.³ Fliervoet, T.F.⁴

47
- 20644470544
- ACACEQ 0108-7673 10.1107/S0108767301007644
- A. R. Oganov, G. D. Price, and J. P. Brodholt, Acta Crystallogr., Sect. A: Found. Crystallogr. ACACEQ 0108-7673 10.1107/S0108767301007644 A57, 548 (2001).
- (2001) Acta Crystallogr., Sect. A: Found. Crystallogr. , vol.57 , pp. 548
- Oganov, A.R.¹ Price, G.D.² Brodholt, J.P.³

48
- 0036062221
- ACACEQ 0108-7673
- H. Sowa and E. Koch, Acta Crystallogr., Sect. A: Found. Crystallogr. ACACEQ 0108-7673 58, 327 (2002).
- (2002) Acta Crystallogr., Sect. A: Found. Crystallogr. , vol.58 , pp. 327
- Sowa, H.¹ Koch, E.²

49
- 4243606192
- PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471
- R. Car and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471 55, 2471 (1985).
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
- Car, R.¹ Parrinello, M.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.