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Volumn 485-486, Issue , 1999, Pages 13-25

Model structures and properties of the electron density distribution for low quartz at pressure: A study of the SiO bond

(5) Gibbs, G V a Rosso, K M a Teter, D M a Boisen Jr , M B a Bukowinski, M S T b

a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY (United States)

b UNIVERSITY OF CALIFORNIA (United States)

Author keywords

Coesite; Cristobalite; Danburite; Disiloxane; Net charges; OO interactions; Scolecite; SiO bond; Topaz

Indexed keywords

OXYGEN; SILICATE; SILICON; SILICON DIOXIDE;

ARTICLE; CALCULATION; CHEMICAL BOND; CONTROLLED STUDY; CRYSTAL STRUCTURE; ELECTRON; GEOMETRY; MODEL; PRESSURE;

EID: 0033543145 PISSN: 00222860 EISSN: None Source Type: Journal
DOI: 10.1016/S0022-2860(99)00179-9 Document Type: Article

Times cited : (43)

References (73)

1
- 0345491744
- P.J. Heaney, C.T. Prewitt, G.V. Gibbs (Eds.) American Mineralogist, Washington, DC
- G.J. Beall, in: P.J. Heaney, C.T. Prewitt, G.V. Gibbs (Eds.), SILICA. Reviews in Mineralogy, 29, American Mineralogist, Washington, DC, 1994, pp. 606.
- (1994) SILICA. Reviews in Mineralogy , vol.29 , pp. 606
- Beall, G.J.¹

2
- 0002694942
- P.J. Heaney, C.T. Prewitt, G.V. Gibbs (Eds.) American Mineralogist, Washington, DC, Chapter 2
- R.J. Hemley, C.T. Prewitt, J. Kingma, in: P.J. Heaney, C.T. Prewitt, G.V. Gibbs (Eds.), SILICA. Reviews in Mineralogy, 29, American Mineralogist, Washington, DC, 1994, pp. 41 Chapter 2.
- (1994) SILICA. Reviews in Mineralogy , vol.29 , pp. 41
- Hemley, R.J.¹ Prewitt, C.T.² Kingma, J.³

3
- 1642535197
- J.W. Downs, R.J. Swope, J. Phys. Chem. 96 (1992) 4834.
- (1992) J. Phys. Chem. , vol.96 , pp. 4834
- Downs, J.W.¹ Swope, R.J.²

4
- 0001516315
- J.W. Downs, J. Phys. Chem. 99 (1995) 6849.
- (1995) J. Phys. Chem. , vol.99 , pp. 6849
- Downs, J.W.¹

5
- 0000471323
- P.J. Heaney, C.T. Prewitt, G.V. Gibbs (Eds.) American Mineralogist, Washington, DC, Chapter 10
- G.V. Gibbs, J.W. Downs, M.B. Boisen Jr., in: P.J. Heaney, C.T. Prewitt, G.V. Gibbs (Eds.), SILICA. Reviews in Mineralogy, 29, American Mineralogist, Washington, DC, 1994, pp. 331 Chapter 10.
- (1994) SILICA. Reviews in Mineralogy , vol.29 , pp. 331
- Gibbs, G.V.¹ Downs, J.W.² Boisen M.B., Jr.³

6
- 0030832053
- G.V. Gibbs, F.C. Hill, M.B. Boisen Jr., Phys. Chem. Miner. 23 (1997) 167.
- (1997) Phys. Chem. Miner. , vol.23 , pp. 167
- Gibbs, G.V.¹ Hill, F.C.² Boisen M.B., Jr.³

7
- 0032461618
- G.V. Gibbs, M.B. Boisen Jr., F.C. Hill, O. Tamada, R.T. Downs, Phys. Chem. Miner. 25 (1998) 574.
- (1998) Phys. Chem. Miner. , vol.25 , pp. 574
- Gibbs, G.V.¹ Boisen M.B., Jr.² Hill, F.C.³ Tamada, O.⁴ Downs, R.T.⁵

8
- 0003081431
- F.C. Hill, G.V. Gibbs, M.B. Boisen Jr., Phys. Chem. Miner. 24 (1997) 582.
- (1997) Phys. Chem. Miner. , vol.24 , pp. 582
- Hill, F.C.¹ Gibbs, G.V.² Boisen M.B., Jr.³

9
- 0001086403
- G.V. Gibbs, C.T. Prewitt, K.J. Baldwin, Zeits. Krist. 145 (1977) 108.
- (1977) Zeits. Krist. , vol.145 , pp. 108
- Gibbs, G.V.¹ Prewitt, C.T.² Baldwin, K.J.³

10
- 0032921634
- K.M. Rosso, G.V. Gibbs, M.B. Boisen Jr., Phys. Chem. Miner. 26 (1999) 264.
- (1999) Phys. Chem. Miner. , vol.26 , pp. 264
- Rosso, K.M.¹ Gibbs, G.V.² Boisen M.B., Jr.³

11
- 0000700835
- N. Binggeli, N. Troullier, J.L. Martin, J.R. Chelikowsky, Phys. Rev. B 44 (1991) 4771.
- (1991) Phys. Rev. B , vol.44 , pp. 4771
- Binggeli, N.¹ Troullier, N.² Martin, J.L.³ Chelikowsky, J.R.⁴

12
- 0005355447
- R.F.W. Bader, J. Phys. Chem. A 102 (1998) 7314.
- (1998) J. Phys. Chem. A , vol.102 , pp. 7314
- Bader, R.F.W.¹

13
- 0003961173
- Technische Universität Wien, Wien, Austria
- G. Kresse, J. Furthmüller, Vienna Ab-initio Simulation Package, Technische Universität Wien, Wien, Austria, 1999, pp. 120.
- (1999) Vienna Ab-initio Simulation Package , pp. 120
- Kresse, G.¹ Furthmüller, J.²

14
- 35949007146
- G. Kresse, J. Hafner, Phys. Rev. B 48 (1993) 13115.
- (1993) Phys. Rev. B , vol.48 , pp. 13115
- Kresse, G.¹ Hafner, J.²

15
- 10644250257
- P. Hohenberg, W. Kohn, Phys. Rev. B 136 (1964) 864.
- (1964) Phys. Rev. B , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

16
- 0042113153
- W. Kohn, L.J. Sham, Phys. Rev. 140 (1965) 1133.
- (1965) Phys. Rev. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

17
- 33744691386
- D.M. Ceperley, B.J. Alder, Phys. Rev. Lett. 45 (1980) 566.
- (1980) Phys. Rev. Lett. , vol.45 , pp. 566
- Ceperley, D.M.¹ Alder, B.J.²

18
- 11944256577
- M.C. Payne, M.P. Teter, D.C. Allen, T.A. Arais, J.D. Joannopoulos, Rev. Mod. Phys. 64 (1980) 1045.
- (1980) Rev. Mod. Phys. , vol.64 , pp. 1045
- Payne, M.C.¹ Teter, M.P.² Allen, D.C.³ Arais, T.A.⁴ Joannopoulos, J.D.⁵

19
- 0343109925
- J.S. Tse, D.D. Klug, D.C. Allan, Phys. Rev. B 51 (1995) 392.
- (1995) Phys. Rev. B , vol.51 , pp. 392
- Tse, J.S.¹ Klug, D.D.² Allan, D.C.³

20
- 0000050443
- B.B. Karki, M.C. Warren, L. Stixrude, G.J. Arkland, J. Cain, Phys. Rev. B 55 (1997) 3465.
- (1997) Phys. Rev. B , vol.55 , pp. 3465
- Karki, B.B.¹ Warren, M.C.² Stixrude, L.³ Arkland, G.J.⁴ Cain, J.⁵

21
- 0000629437
- D.M. Teter, R.J. Hemley, G. Kresse, J. Hafner, Phys. Rev. Lett. 80 (1998) 2145.
- (1998) Phys. Rev. Lett. , vol.80 , pp. 2145
- Teter, D.M.¹ Hemley, R.J.² Kresse, G.³ Hafner, J.⁴

22
- 20544463457
- D. Vanderbilt, Phys. Rev. B 41 (1990) 7892.
- (1990) Phys. Rev. B , vol.41 , pp. 7892
- Vanderbilt, D.¹

23
- 1842816907
- H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13 (1976) 5188.
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

24
- 23244460838
- J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys. Rev. B 46 (1992) 6671.
- (1992) Phys. Rev. B , vol.46 , pp. 6671
- Perdew, J.P.¹ Chevary, J.A.² Vosko, S.H.³ Jackson, K.A.⁴ Pederson, M.R.⁵ Singh, D.J.⁶ Fiolhais, C.⁷

25
- 0000298009
- F. Birch, J. Geophys. Res. 83 (1978) 1257.
- (1978) J. Geophys. Res. , vol.83 , pp. 1257
- Birch, F.¹

26
- 0003930472
- University of Torino, Torino, Italy
- R. Dovesi, V.R. Saunders, C. Roetti, M. Causá, N.M. Harrison, R. Orlando, E. Aprá, CRYSTAL95 User's Manual, University of Torino, Torino, Italy, 1996, pp. 170.
- (1996) CRYSTAL95 User's Manual , pp. 170
- Dovesi, R.¹ Saunders, V.R.² Roetti, C.³ Causá, M.⁴ Harrison, N.M.⁵ Orlando, R.⁶ Aprá, E.⁷

27
- 0005790998
- CNR-CSRSRC, Milano, Italy
- C. Gatti, TOPOND96 User's Manual, CNR-CSRSRC, Milano, Italy, 1997, pp. 15.
- (1997) TOPOND96 User's Manual , pp. 15
- Gatti, C.¹

28
- 0001579853
- Ph. D'Arco, G. Sandrome, R. Dovesi, R. Orlando, V.R. Saunders, Phys. Chem. Miner. 20 (1993) 407.
- (1993) Phys. Chem. Miner. , vol.20 , pp. 407
- D'Arco, Ph.¹ Sandrome, G.² Dovesi, R.³ Orlando, R.⁴ Saunders, V.R.⁵

29
- 0002302063
- R. Dovesi, C. Roetti, C. Freyria-Fava, M. Prencipe, V.R. Saunders, J. Chem. Phys. 156 (1991) 11.
- (1991) J. Chem. Phys. , vol.156 , pp. 11
- Dovesi, R.¹ Roetti, C.² Freyria-Fava, C.³ Prencipe, M.⁴ Saunders, V.R.⁵

30
- 0042113153
- W. Kohn, L.J. Sham, Phys. Rev. 140 (1965) 1133.
- (1965) Phys. Rev. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

31
- 0000216001
- S.H. Vosko, L. Wilk, M. Nusait, Can. J. Phys. 58 (1980) 1200.
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusait, M.³

32
- 0018032572
- J.D. Jorgensen, J. Appl. Phys. 49 (1978) 5473.
- (1978) J. Appl. Phys. , vol.49 , pp. 5473
- Jorgensen, J.D.¹

33
- 0000440872
- L. Levien, C.T. Prewitt, D.J. Weidner, Amer. Mineral. 65 (1980) 920.
- (1980) Amer. Mineral. , vol.65 , pp. 920
- Levien, L.¹ Prewitt, C.T.² Weidner, D.J.³

34
- 84950078753
- J. Glinneman, H.E. King, H. Schulz, Th. Hahn, S.J. LaPlaca, F. Dacol, Zeits. Krist. 198 (1992) 177.
- (1992) Zeits. Krist. , vol.198 , pp. 177
- Glinneman, J.¹ King, H.E.² Schulz, H.³ Hahn, Th.⁴ LaPlaca, S.J.⁵ Dacol, F.⁶

35
- 0024770958
- R.M. Hazen, L.K. Finger, R.J. Hemley, L.W. Moa, Solid State Commun. 72 (1989) 507.
- (1989) Solid State Commun. , vol.72 , pp. 507
- Hazen, R.M.¹ Finger, L.K.² Hemley, R.J.³ Moa, L.W.⁴

36
- 0010626530
- F.C. Hill, G.V. Gibbs, M.B. Boisen Jr., Struct. Chem. 5 (1994) 349.
- (1994) Struct. Chem. , vol.5 , pp. 349
- Hill, F.C.¹ Gibbs, G.V.² Boisen M.B., Jr.³

37
- 0028325573
- R.T. Downs, D.C. Palmer, Amer. Mineral. 79 (1994) 9.
- (1994) Amer. Mineral. , vol.79 , pp. 9
- Downs, R.T.¹ Palmer, D.C.²

38
- 0027039866
- R.T. Downs, G.V. Gibbs, K.L. Bartelmehs, M.B. Boisen Jr., Amer. Mineral. 77 (1992) 751.
- (1992) Amer. Mineral. , vol.77 , pp. 751
- Downs, R.T.¹ Gibbs, G.V.² Bartelmehs, K.L.³ Boisen M.B., Jr.⁴

39
- 0003495717
- Oxford Science, Oxford, UK
- R.F.W. Bader, Atoms in Molecules, Oxford Science, Oxford, UK, 1990 p. 438.
- (1990) Atoms in Molecules , pp. 438
- Bader, R.F.W.¹

40
- 0002136031
- Y. Ida, Phys. Earth Plan. Inter. 13 (1976) 97.
- (1976) Phys. Earth Plan. Inter. , vol.13 , pp. 97
- Ida, Y.¹

41
- 51249180546
- R. Narayan, Pramãna 13 (1979) 559.
- (1979) Pramãna , vol.13 , pp. 559
- Narayan, R.¹

42
- 84977309239
- V.G. Tsirelson, P.F. Zou, T.H. Tang, R.F.W. Bader, Acta Cryst. B51 (1995) 143.
- (1995) Acta Cryst. , vol.B51 , pp. 143
- Tsirelson, V.G.¹ Zou, P.F.² Tang, T.H.³ Bader, R.F.W.⁴

43
- 85011742847
- J.W. Downs, EOS Trans. Amer. Geophys. Union 70 (1989) 349.
- (1989) EOS Trans. Amer. Geophys. Union , vol.70 , pp. 349
- Downs, J.W.¹

44
- 0030149290
- Y. Aray, R.F.W. Bader, Surf. Sci. 351 (1996) 233.
- (1996) Surf. Sci. , vol.351 , pp. 233
- Aray, Y.¹ Bader, R.F.W.²

45
- 0001435204
- A.N. Pendás, A. Costales, V. Launa, Phys. Rev. B 55 (1997) 4275.
- (1997) Phys. Rev. B , vol.55 , pp. 4275
- Pendás, A.N.¹ Costales, A.² Launa, V.³

46
- 0031558357
- Y.A. Abramov, Phys. Chem. A 101 (1997) 5725.
- (1997) Phys. Chem. A , vol.101 , pp. 5725
- Abramov, Y.A.¹

47
- 25044442416
- preprint
- V. Luaña, P. Costales, P. Mori-Sánchez, A.M. Pendás, Phys. Rev. B, (preprint).
- Phys. Rev. B,
- Luaña, V.¹ Costales, P.² Mori-Sánchez, P.³ Pendás, A.M.⁴

48
- 0004039398
- Oxford University Press, Oxford, UK
- P. Coppens, X-ray Charge Densities and Chemical Bonding, Oxford University Press, Oxford, UK, 1997 p. 358.
- (1997) X-ray Charge Densities and Chemical Bonding , pp. 358
- Coppens, P.¹

49
- 0037877706
- L. Pauling, J. Amer. Chem. Soc. 51 (1929) 1010.
- (1929) J. Amer. Chem. Soc. , vol.51 , pp. 1010
- Pauling, L.¹

50
- 0003438540
- Cornell University Press, Ithaca, NY
- L. Pauling, The Nature of the Chemical Bond, Cornell University Press, Ithaca, NY, 1937 p. 450.
- (1937) The Nature of the Chemical Bond , pp. 450
- Pauling, L.¹

51
- 0018063913
- S.T. Pantelides (Ed.) Pergamon Press, New York, NY, Chapter 2
- 2 and its Interfaces, Pergamon Press, New York, NY, 1978, pp. 105 Chapter 2.
- (1978) 2 and Its Interfaces , pp. 105
- Harrison, W.A.¹

52
- 0000628801
- C.R.A. Catlow, A.M. Stoneham, J. Phys. C: Solid State Phys. 16 (1983) 4321.
- (1983) J. Phys. C: Solid State Phys. , vol.16 , pp. 4321
- Catlow, C.R.A.¹ Stoneham, A.M.²

53
- 0000253749
- V.G. Tsirelson, O.A. Evdokimova, E.L. Belokoneva, V.S. Urusov, Phys. Chem. Miner. 17 (1990) 275.
- (1990) Phys. Chem. Miner. , vol.17 , pp. 275
- Tsirelson, V.G.¹ Evdokimova, O.A.² Belokoneva, E.L.³ Urusov, V.S.⁴

54
- 0001320069
- B.J. Teppen, D.M. Miller, S.Q. Newton, L. Schäfer, J. Phys. Chem. 98 (1994) 12545.
- (1994) J. Phys. Chem. , vol.98 , pp. 12545
- Teppen, B.J.¹ Miller, D.M.² Newton, S.Q.³ Schäfer, L.⁴

55
- 0000323308
- P.J. Heaney, C.T. Prewitt, G.V. Gibbs (Eds.) American Mineralogist, Washington, DC, Chapter 11
- R.E. Cohen, in: P.J. Heaney, C.T. Prewitt, G.V. Gibbs (Eds.), SILICA. Reviews in Mineralogy, 29, American Mineralogist, Washington, DC, 1994, pp. 369 Chapter 11.
- (1994) SILICA. Reviews in Mineralogy , vol.29 , pp. 369
- Cohen, R.E.¹

56
- 33845378666
- T. Kudo, S. Nagase, J. Amer. Chem. Soc. 107 (1985) 2589.
- (1985) J. Amer. Chem. Soc. , vol.107 , pp. 2589
- Kudo, T.¹ Nagase, S.²

57
- 0008673263
- M.S. Gordon, T.J. Packwood, M.T. Carroll, J. Phys. Chem. 95 (1991) 4332.
- (1991) J. Phys. Chem. , vol.95 , pp. 4332
- Gordon, M.S.¹ Packwood, T.J.² Carroll, M.T.³

58
- 0000850061
- R.J. Gillespie, S.A. Johnson, Inorg. Chem. 36 (1997) 3031.
- (1997) Inorg. Chem. , vol.36 , pp. 3031
- Gillespie, R.J.¹ Johnson, S.A.²

59
- 0000862226
- H. Oberhammer, J.E. Boggs, J. Am. Chem. Soc. 102 (1980) 7241.
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 7241
- Oberhammer, H.¹ Boggs, J.E.²

60
- 0001169551
- J.B. Nicholas, R.E. Winans, R.J. Harrison, L.E. Iton, L.A. Curtiss, J. Phys. Chem. 96 (1992) 7958.
- (1992) J. Phys. Chem. , vol.96 , pp. 7958
- Nicholas, J.B.¹ Winans, R.E.² Harrison, R.J.³ Iton, L.E.⁴ Curtiss, L.A.⁵

61
- 0344894854
- submitted for publication
- A. Kirfel, G.V. Gibbs, Phys. Chem. Miner., (submitted for publication).
- Phys. Chem. Miner.,
- Kirfel, A.¹ Gibbs, G.V.²

62
- 0000916664
- Y.U. Ivanov, E.L. Belokoneva, N.K. Hansen, V.G. Tsirelson, Acta Cryst. B54 (1998) 774.
- (1998) Acta Cryst. , vol.B54 , pp. 774
- Ivanov, Y.U.¹ Belokoneva, E.L.² Hansen, N.K.³ Tsirelson, V.G.⁴

63
- 0023827116
- M.D. Jackson, G.V. Gibbs, J. Phys. Chem. 92 (1988) 540.
- (1988) J. Phys. Chem. , vol.92 , pp. 540
- Jackson, M.D.¹ Gibbs, G.V.²

64
- 0019914389
- G.V. Gibbs, Amer. Mineral. 67 (1982) 421.
- (1982) Amer. Mineral. , vol.67 , pp. 421
- Gibbs, G.V.¹

65
- 0000610661
- M. O'Keeffe, A. Navrotsky (Eds.) Academic Press, New York, NY, Chapter 10
- M. O'Keeffe, B.C. Hyde, in: M. O'Keeffe, A. Navrotsky (Eds.), Structure and Bonding in Crystals, I, Academic Press, New York, NY, 1981, pp. 227 Chapter 10.
- (1981) Structure and Bonding in Crystals , vol.1 , pp. 227
- O'Keeffe, M.¹ Hyde, B.C.²

66
- 0345060193
- M.D. Jackson, R.G. Gordon, Phys. Chem. Miner. 16 (1988) 212.
- (1988) Phys. Chem. Miner. , vol.16 , pp. 212
- Jackson, M.D.¹ Gordon, R.G.²

67
- 0345060191
- PhD Thesis, University of Twente, The Netherlands
- R.J.M. Velders, The Electron Density of Molecules: A Tool for Understanding Molecular Response, PhD Thesis, University of Twente, The Netherlands, 1992, p. 49.
- (1992) The Electron Density of Molecules: A Tool for Understanding Molecular Response , pp. 49
- Velders, R.J.M.¹

68
- 0000316640
- N.E. Ghermani, C. Lecomte, Y. Dusausoy, Phys. Rev. B 53 (1996) 5231.
- (1996) Phys. Rev. B , vol.53 , pp. 5231
- Ghermani, N.E.¹ Lecomte, C.² Dusausoy, Y.³

69
- 0001750529
- S. Kuntzinger, N.E. Ghermani, Y. Dusausoy, C. Lecomte, Acta Cryst. B54 (1989) 819.
- (1989) Acta Cryst. , vol.B54 , pp. 819
- Kuntzinger, S.¹ Ghermani, N.E.² Dusausoy, Y.³ Lecomte, C.⁴

70
- 36549095696
- R.F.W. Bader, H. Essén, J. Chem. Phys. 80 (1984) 1943.
- (1984) J. Chem. Phys. , vol.80 , pp. 1943
- Bader, R.F.W.¹ Essén, H.²

71
- 0031811010
- S. Feth, G.V. Gibbs, M.B. Boisen, F.C. Hill, Phys. Chem. Miner. 98 (1998) 234.
- (1998) Phys. Chem. Miner. , vol.98 , pp. 234
- Feth, S.¹ Gibbs, G.V.² Boisen, M.B.³ Hill, F.C.⁴

72
- 0345401784
- R.F.W. Bader, Chem. Rev. 91 (1991) 893.
- (1991) Chem. Rev. , vol.91 , pp. 893
- Bader, R.F.W.¹

73
- 0000971523
- D. Cremer, E. Kraka, Croat. Chem. Acta 57 (1984) 1259.
- (1984) Croat. Chem. Acta , vol.57 , pp. 1259
- Cremer, D.¹ Kraka, E.²

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