-
1
-
-
0000821784
-
Infrared absorption study of the hydrogen-bond symmetrization in ice to 110 GPa
-
Aoki, K., Yamawaki, H., Sakashita, M., and Fujihisa, H. (1996) Infrared absorption study of the hydrogen-bond symmetrization in ice to 110 GPa. Physical Review B, 54, 15673-15677.
-
(1996)
Physical Review B
, vol.54
, pp. 15673-15677
-
-
Aoki, K.1
Yamawaki, H.2
Sakashita, M.3
Fujihisa, H.4
-
2
-
-
33645139673
-
First-principles study of the OH-stretching modes of gibbsite
-
Balan, E., Lazzeri, M., Morin, G., and Mauri, F. (2006) First-principles study of the OH-stretching modes of gibbsite. American Mineralogist, 91, 115-119.
-
(2006)
American Mineralogist
, vol.91
, pp. 115-119
-
-
Balan, E.1
Lazzeri, M.2
Morin, G.3
Mauri, F.4
-
3
-
-
0035535380
-
Phonons and related crystal properties form density-functional perturbation theory
-
Baroni, S., de Gironcoli, S., Dal Corso, A., and Giannozzi, P. (2001) Phonons and related crystal properties form density-functional perturbation theory. Review of Modern Physics, 73, 515-562.
-
(2001)
Review of Modern Physics
, vol.73
, pp. 515-562
-
-
Baroni, S.1
de Gironcoli, S.2
Dal Corso, A.3
Giannozzi, P.4
-
4
-
-
35448946480
-
Single-crystal structure refinement of diaspore at 50 GPa
-
Friedrich, A., Haussühl, E., Boehler, R., Morgenroth, W., Juarez-Arellano, E.A., and Winkler, B. (2007a) Single-crystal structure refinement of diaspore at 50 GPa. American Mineralogist, 92, 1640-1644.
-
(2007)
American Mineralogist
, vol.92
, pp. 1640-1644
-
-
Friedrich, A.1
Haussühl, E.2
Boehler, R.3
Morgenroth, W.4
Juarez-Arellano, E.A.5
Winkler, B.6
-
5
-
-
34047188499
-
High-pressure properties of diaspore, AlO(OH)
-
Friedrich, A., Wilson, D.J., Haussühl, E., Winkler, B., Morgenroth, W., Refson, K., and Milman, V. (2007b) High-pressure properties of diaspore, AlO(OH). Physics and Chemistry of Minerals, 34, 145-157.
-
(2007)
Physics and Chemistry of Minerals
, vol.34
, pp. 145-157
-
-
Friedrich, A.1
Wilson, D.J.2
Haussühl, E.3
Winkler, B.4
Morgenroth, W.5
Refson, K.6
Milman, V.7
-
6
-
-
0029825875
-
Compression of ice to 210 gigapascals infrared evidence for a symmetric hydrogen bonded phase
-
Goncharov, A.F., Struzhkin, V.V., Somayazulu, M.S., Hemley, R.J., and Mao, H.K. (1996) Compression of ice to 210 gigapascals infrared evidence for a symmetric hydrogen bonded phase. Science, 273, 218-220.
-
(1996)
Science
, vol.273
, pp. 218-220
-
-
Goncharov, A.F.1
Struzhkin, V.V.2
Somayazulu, M.S.3
Hemley, R.J.4
Mao, H.K.5
-
8
-
-
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
-
9
-
-
0031674222
-
Phase transformations in serpentine and transportation of water into the lower mantle
-
Irifune, T., Kubo, N., Isshiki, M., and Yamazaki, Y. (1998) Phase transformations in serpentine and transportation of water into the lower mantle. Geophysical Research Letters, 25, 203-206.
-
(1998)
Geophysical Research Letters
, vol.25
, pp. 203-206
-
-
Irifune, T.1
Kubo, N.2
Isshiki, M.3
Yamazaki, Y.4
-
10
-
-
33750852239
-
Redetermination of the high-pressure modification of AlOOH from single-crystal synchrotron data
-
Komatsu, K., Kuribayashi, T., Sano, A., Ohtani, E., and Kudoh, Y. (2006) Redetermination of the high-pressure modification of AlOOH from single-crystal synchrotron data. Acta Crystallographica, E62, i216-i218.
-
(2006)
Acta Crystallographica
, vol.E62
-
-
Komatsu, K.1
Kuribayashi, T.2
Sano, A.3
Ohtani, E.4
Kudoh, Y.5
-
13
-
-
3343021220
-
Ab initio studies on high pressure phases of ice
-
Lee, C., Vanderbilt, D., Laasonen, K., Car, R., and Parrinello, M. (1992)Ab initio studies on high pressure phases of ice. Physical Review Letters, 69, 462-465.
-
(1992)
Physical Review Letters
, vol.69
, pp. 462-465
-
-
Lee, C.1
Vanderbilt, D.2
Laasonen, K.3
Car, R.4
Parrinello, M.5
-
14
-
-
28844435391
-
The elastic and optical properties of the high-pressure hydrous phase δ-AlOOH
-
Li, S., Ahuja, R., and Johansson, B. (2006) The elastic and optical properties of the high-pressure hydrous phase δ-AlOOH. Solid State Communications, 137, 101-106.
-
(2006)
Solid State Communications
, vol.137
, pp. 101-106
-
-
Li, S.1
Ahuja, R.2
Johansson, B.3
-
15
-
-
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
-
16
-
-
33947470124
-
Stretching frequencies as a function of distances in hydrogen bonds
-
Nakamoto, K., Margoshes, M., and Rundle, R.E. (1955) Stretching frequencies as a function of distances in hydrogen bonds. Journal of the American Chemical Society, 77, 6480-6486.
-
(1955)
Journal of the American Chemical Society
, vol.77
, pp. 6480-6486
-
-
Nakamoto, K.1
Margoshes, M.2
Rundle, R.E.3
-
17
-
-
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
-
19
-
-
0032504731
-
Stability limits of hydrous minerals in sediment and mid-ocean ridge basalt compositions: Implications for water transport in subduction zones
-
Ono, S. (1998) Stability limits of hydrous minerals in sediment and mid-ocean ridge basalt compositions: Implications for water transport in subduction zones. Journal of Geophysical Research, 103, 18253-18267.
-
(1998)
Journal of Geophysical Research
, vol.103
, pp. 18253-18267
-
-
Ono, S.1
-
20
-
-
2342437587
-
Hydrogen incorporation in stishovite at high pressure and symmetric hydrogen bonding in δ-AlOOH
-
Panero, W.R. and Stixrude, L.P. (2004) Hydrogen incorporation in stishovite at high pressure and symmetric hydrogen bonding in δ-AlOOH. Earth and Planetary Science Letters, 221, 421-431.
-
(2004)
Earth and Planetary Science Letters
, vol.221
, pp. 421-431
-
-
Panero, W.R.1
Stixrude, L.P.2
-
21
-
-
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
-
23
-
-
85105899808
-
-
Sano, A., Ohtani, E., Kondo, T., Hirao, N., Kikegawa, T., Sata, N., and Ohishi, Y. (2006) High-pressure stability field of aluminous hydroxide delta-AlOOH. 19th General meeting of the International Mineralogical Association, Abstract P06-03.
-
Sano, A., Ohtani, E., Kondo, T., Hirao, N., Kikegawa, T., Sata, N., and Ohishi, Y. (2006) High-pressure stability field of aluminous hydroxide delta-AlOOH. 19th General meeting of the International Mineralogical Association, Abstract P06-03.
-
-
-
-
24
-
-
0001426249
-
A new hydrous phase δAlOOH synthesized at 21 GPa and 1000 °C
-
Suzuki, A., Ohtani, E., and Kamada, T. (2000) A new hydrous phase δAlOOH 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
-
25
-
-
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
-
26
-
-
0036820406
-
First principles calculation of a high pressure hydrous phase δAlOOH
-
Tsuchiya, J., Tsuchiya, T., Tsuneyuki, S., and Yamanaka, T. (2002) First principles calculation of a high pressure hydrous phase δAlOOH. 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
-
27
-
-
4143064827
-
First principles determination of the phase boundaries of high-pressure polymorphs of silica
-
Tsuchiya, T., Caracas, R., and Tsuchiya, J. (2004a) 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
-
29
-
-
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
-
30
-
-
42749102066
-
Amorphization in quenched ice VIII. A first-principles study
-
0180103/1-0180103/ 4
-
Umemoto, K. and Wentzcovitch, R.M. (2004) Amorphization in quenched ice VIII. A first-principles study. Physical Review B, 69, 0180103/1-0180103/ 4.
-
(2004)
Physical Review B
, vol.69
-
-
Umemoto, K.1
Wentzcovitch, R.M.2
-
31
-
-
17044424886
-
Theoretical study of the isostructural transformation in ice VIII
-
012102/ 1-012102/3
-
Umemoto, K. and Wentzcovitch, R.M (2005) Theoretical study of the isostructural transformation in ice VIII. Physical Review B, 71, 012102/ 1-012102/3.
-
(2005)
Physical Review B
, vol.71
-
-
Umemoto, K.1
Wentzcovitch, R.M.2
-
32
-
-
0001476067
-
Invariant molecular dynamics approach to structural phase transitions
-
Wentzcovitcth R.M. ( 1991 ), Invariant molecular dynamics approach to structural phase transitions. Physical Review B, 44, 2358-2361.
-
(1991)
Physical Review B
, vol.44
, pp. 2358-2361
-
-
Wentzcovitcth, R.M.1
-
33
-
-
0029474255
-
Ab initio total energy study of brucite, diaspore, and hypothetical hydrous wadsleyite
-
Winkler, B., Milman, V., Hennion, B., Lee, M.H., and Lin, J.S. (1995) Ab initio total energy study of brucite, diaspore, and hypothetical hydrous wadsleyite. Physics and Chemistry of Minerals, 22, 461-467.
-
(1995)
Physics and Chemistry of Minerals
, vol.22
, pp. 461-467
-
-
Winkler, B.1
Milman, V.2
Hennion, B.3
Lee, M.H.4
Lin, J.S.5
-
34
-
-
0035047802
-
Theoretical investigation of bonding in diaspore
-
Winkler, B., Hytha, M., Pickard, C., Milman, V., Warren, M., and Segall, M. (2001) Theoretical investigation of bonding in diaspore. European Journal of Mineralogy, 13, 343-349.
-
(2001)
European Journal of Mineralogy
, vol.13
, pp. 343-349
-
-
Winkler, B.1
Hytha, M.2
Pickard, C.3
Milman, V.4
Warren, M.5
Segall, M.6
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