-
2
-
-
0033362174
-
The role of quantum effects and ionic defects in high-density ice
-
Benoit, M., Marx, D. and Parrinello, M. (1999) The role of quantum effects and ionic defects in high-density ice. Solid State lorlics, 125, 23-29.
-
(1999)
Solid State lorlics
, vol.125
, pp. 23-29
-
-
Benoit, M.1
Marx, D.2
Parrinello, M.3
-
3
-
-
24044524346
-
Synthese de Nouvelles Phase Denses D'oxyhydroxydes M 'OOH des Metaux de la Premiere Serie de Transition, en Milieu Hydrothermal à Tres Haute Pression
-
Chenavas, J., Joubert, J.C., Capponi, J.J. and Marezio, M. (1973) Synthese de Nouvelles Phase Denses D'oxyhydroxydes M 'OOH des Metaux de la Premiere Serie de Transition, en Milieu Hydrothermal à Tres Haute Pression. Journal of Solid State Chemistry, 6, 1-15.
-
(1973)
Journal of Solid State Chemistry
, vol.6
, pp. 1-15
-
-
Chenavas, J.1
Joubert, J.C.2
Capponi, J.J.3
Marezio, M.4
-
4
-
-
0039218544
-
Crystal structure of InOOH
-
Christensen, A.N., Gronbaek, R. and Rasmussen, S.E. (1964) Crystal structure of InOOH. Acta Chemica Scandinavica, 18, 1261-1266.
-
(1964)
Acta Chemica Scandinavica
, vol.18
, pp. 1261-1266
-
-
Christensen, A.N.1
Gronbaek, R.2
Rasmussen, S.E.3
-
5
-
-
0001040318
-
2O hydrogen bonding in density-functional theory
-
2O hydrogen bonding in density-functional theory. Physical Review B, 55, R10157-R10160.
-
(1997)
Physical Review B
, vol.55
-
-
Hamann, D.R.1
-
6
-
-
23244437544
-
The pyrite-type high pressure form of silica
-
Kuwayama, Y., Hirose, K., Sata, N. and Ohishi, Y. (2005) The pyrite-type high pressure form of silica. Science, 309, 923-925.
-
(2005)
Science
, vol.309
, pp. 923-925
-
-
Kuwayama, Y.1
Hirose, K.2
Sata, N.3
Ohishi, Y.4
-
7
-
-
1842816907
-
Special points for Brillouin-zone integrations
-
Monkhorst, H.J. and Pack, J.D. (1976) Special points for Brillouin-zone integrations. Physical Review B, 13, 5188-5192.
-
(1976)
Physical Review B
, vol.13
, pp. 5188-5192
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
8
-
-
0035888469
-
Stability field of new hydrous phase, δ-AlOOH, with implications for water transport into deep mantle
-
Ohtani, E., Litasov, K., Suzuki, A. and Kondo, T. (2001) Stability field of new hydrous phase, δ-AlOOH, with implications for water transport into deep mantle. Geophysical Research Letters, 28, 3991-3993.
-
(2001)
Geophysical Research Letters
, vol.28
, pp. 3991-3993
-
-
Ohtani, E.1
Litasov, K.2
Suzuki, A.3
Kondo, T.4
-
9
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew, J.P., Burke, K. and Ernzerhof, M. (1996) Generalized gradient approximation made simple. Physical Review Letters, 77, 3865-3868.
-
(1996)
Physical Review Letters
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
10
-
-
0000824211
-
Optimized pseudopotentials
-
Rappe, A.M., Rabe, K.M., Kaxiras, E. and Joannopoulous, J.D. (1990) Optimized pseudopotentials. Physical Review B, 41, R1227-R1230
-
(1990)
Physical Review B
, vol.41
-
-
Rappe, A.M.1
Rabe, K.M.2
Kaxiras, E.3
Joannopoulous, J.D.4
-
12
-
-
45749085381
-
X-ray diffraction study of high pressure transition in InOOH
-
Sano, A., Yagi, T., Okada, T., Gotou, H., Ohtani, E., Tsuchiya, J. and Kikegawa, T. (2008) X-ray diffraction study of high pressure transition in InOOH. Journal of Mineralogical and Petrological Sciences, 103, 152-155.
-
(2008)
Journal of Mineralogical and Petrological Sciences
, vol.103
, pp. 152-155
-
-
Sano, A.1
Yagi, T.2
Okada, T.3
Gotou, H.4
Ohtani, E.5
Tsuchiya, J.6
Kikegawa, T.7
-
13
-
-
0141429094
-
Infrared investigation on ice VIII and the phase diagram of dense ices
-
Song, M., Yamawaki, H., Fujihisa, H., Sakashita, M. and Aoki, K. (2003) Infrared investigation on ice VIII and the phase diagram of dense ices. Physical Review B, 68, 014106.
-
(2003)
Physical Review B
, vol.68
, pp. 014106
-
-
Song, M.1
Yamawaki, H.2
Fujihisa, H.3
Sakashita, M.4
Aoki, K.5
-
14
-
-
0001426249
-
A new hydrous phase δ-AlOOH synthesized at 21 GPa and 1000 °C
-
Suzuki, A., Ohtani, E. and Kamada, T. (2000) A new hydrous phase δ-AlOOH synthesized at 21 GPa and 1000 °C. Physics and Chemistry of Minerals, 27, 689-693.
-
(2000)
Physics and Chemistry of Minerals
, vol.27
, pp. 689-693
-
-
Suzuki, A.1
Ohtani, E.2
Kamada, T.3
-
15
-
-
33645426115
-
Efficient pseudopotential for plane wave calculations
-
Troullier, N. and Martins, J.L. (1991) Efficient pseudopotential for plane wave calculations, Physical Review B, 43, 1993-2006.
-
(1991)
Physical Review B
, vol.43
, pp. 1993-2006
-
-
Troullier, N.1
Martins, J.L.2
-
16
-
-
0036820406
-
First principles calculation of a high-pressure hydrous phase, δ-AlOOH
-
Tsuchiya, J., Tsuchiya, T., Tsuneyuki, S. and Yamanaka, T. (2002) First principles calculation of a high-pressure hydrous phase, δ-AlOOH. Geophysical Research Letters, 29, 1909.
-
(2002)
Geophysical Research Letters
, vol.29
, pp. 1909
-
-
Tsuchiya, J.1
Tsuchiya, T.2
Tsuneyuki, S.3
Yamanaka, T.4
-
18
-
-
4143064827
-
First principles determination of the phase boundaries of high-pressure polymorphs of silica
-
Tsuchiya, T., Caracas, R. and Tsuchiya, J. (2004b) First principles determination of the phase boundaries of high-pressure polymorphs of silica. Geophysical Research Letters, 31, L11610.
-
(2004)
Geophysical Research Letters
, vol.31
-
-
Tsuchiya, T.1
Caracas, R.2
Tsuchiya, J.3
-
19
-
-
12444335915
-
First-principles study of hydrogen bond symmetrization of phase D under high pressure
-
Tsuchiya, J., Tsuchiya, T. and Tsuneyuki, S. (2005) First-principles study of hydrogen bond symmetrization of phase D under high pressure. American Mineralogist, 90, 44-49.
-
(2005)
American Mineralogist
, vol.90
, pp. 44-49
-
-
Tsuchiya, J.1
Tsuchiya, T.2
Tsuneyuki, S.3
-
20
-
-
36149034873
-
Universal features of the equation of state of solids
-
Vinet, P., Rose, J.H., Ferrante, J. and Smith, J. R. (1989) Universal features of the equation of state of solids, Journal of Physics: Condensed Matter, 1, 1941-1963.
-
(1989)
Journal of Physics: Condensed Matter
, vol.1
, pp. 1941-1963
-
-
Vinet, P.1
Rose, J.H.2
Ferrante, J.3
Smith, J.R.4
-
21
-
-
0001476067
-
Invariant molecular dynamics approach to structural phase transitions
-
Wentzcovitch, R.M. (1991) Invariant molecular dynamics approach to structural phase transitions. Physical Review B, 44, 2359-2361.
-
(1991)
Physical Review B
, vol.44
, pp. 2359-2361
-
-
Wentzcovitch, R.M.1
|