-
1
-
-
0035535380
-
Phonons and related crystal properties from density-functional perturbation theory
-
doi: 10.1103/RevModPhys.73.515
-
Baroni, S., S. de Gironcoli, A. Dal Corso, and, P. Giannozzi, (2001), Phonons and related crystal properties from density-functional perturbation theory, Rev. Mod. Phys., 73, 515-562, doi: 10.1103/RevModPhys.73.515.
-
(2001)
Rev. Mod. Phys.
, vol.73
, pp. 515-562
-
-
Baroni, S.1
De Gironcoli, S.2
Dal Corso, A.3
Giannozzi, P.4
-
2
-
-
0032546413
-
Tunnelling and zero-point motion in high-pressure ice
-
doi: 10.1038/32609
-
Benoit, M., D. Marx, and, M. Parrinello, (1998), Tunnelling and zero-point motion in high-pressure ice, Nature, 392, 258-261, doi: 10.1038/32609.
-
(1998)
Nature
, vol.392
, pp. 258-261
-
-
Benoit, M.1
Marx, D.2
Parrinello, M.3
-
3
-
-
0032900918
-
Superionic and metallic states of water and ammonia at giant planet conditions
-
doi: 10.1126/science.283.5398.44
-
Cavazzoni, C., G. L. Chiarotti, S. Scandolo, E. Tosatti, M. Bernasconi, and, M. Parrinello, (1999), Superionic and metallic states of water and ammonia at giant planet conditions, Science, 283, 44-46, doi: 10.1126/science.283.5398. 44.
-
(1999)
Science
, vol.283
, pp. 44-46
-
-
Cavazzoni, C.1
Chiarotti, G.L.2
Scandolo, S.3
Tosatti, E.4
Bernasconi, M.5
Parrinello, M.6
-
4
-
-
55949120832
-
Slabs and shear wave reflectors in the midmantle
-
doi: 10.1029/2007JB005261
-
Courtier, A. M., and, J. Revenaugh, (2008), Slabs and shear wave reflectors in the midmantle, J. Geophys. Res., 113, B08312, doi: 10.1029/2007JB005261.
-
(2008)
J. Geophys. Res.
, vol.113
-
-
Courtier, A.M.1
Revenaugh, J.2
-
5
-
-
0032502565
-
Stability of phase D at high pressure and high temperature
-
doi: 10.1029/98JB00077
-
Frost, D. J., and, Y. Fei, (1998), Stability of phase D at high pressure and high temperature, J. Geophys. Rev., 103, 7463-7474, doi: 10.1029/98JB00077.
-
(1998)
J. Geophys. Rev.
, vol.103
, pp. 7463-7474
-
-
Frost, D.J.1
Fei, Y.2
-
6
-
-
70349568754
-
QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials
-
doi: 10.1088/0953-8984/21/39/395502
-
Giannozzi, P., et al. (2009), QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials, J. Phys. Condens. Matter, 21, 395502, doi: 10.1088/0953-8984/21/39/395502.
-
(2009)
J. Phys. Condens. Matter
, vol.21
, pp. 395502
-
-
Giannozzi, P.1
-
7
-
-
18144370062
-
Dynamic ionization of water under extreme conditions
-
125508, doi: 10.1103/PhysRevLett.94.125508
-
Goncharov, A. F., N. Goldman, L. E. Fried, J. C. Crowhurst, I-F. W. Kuo, C. J. Mundy, and, J. M. Zaug, (2005), Dynamic ionization of water under extreme conditions, Phys. Rev. Lett., 94, 125508, doi: 10.1103/PhysRevLett.94.125508.
-
(2005)
Phys. Rev. Lett.
, vol.94
-
-
Goncharov, A.F.1
Goldman, N.2
Fried, L.E.3
Crowhurst, J.C.4
Kuo, I.-F.W.5
Mundy, C.J.6
Zaug, J.M.7
-
8
-
-
84856376649
-
High pressure ices
-
doi: 10.1073/pnas.1118694109
-
Hermann, A., N. W. Ashcroft, and, R. Hoffmann, (2012), High pressure ices, Proc. Natl. Acad. Sci., 109, 745-750, doi: 10.1073/pnas.1118694109.
-
(2012)
Proc. Natl. Acad. Sci.
, vol.109
, pp. 745-750
-
-
Hermann, A.1
Ashcroft, N.W.2
Hoffmann, R.3
-
9
-
-
84855312566
-
2O ice predicted using an adaptive genetic algorithm
-
doi: 10.1103/PhysRevB.84.220105
-
2O ice predicted using an adaptive genetic algorithm, Phys. Rev. B, 84, 220105(R), doi: 10.1103/PhysRevB.84.220105.
-
(2011)
Phys. Rev. B
, vol.84
-
-
Ji, M.1
Umemoto, K.2
Wang, C.-Z.3
Ho, K.-M.4
Wentzcovitch, R.M.5
-
10
-
-
33646583824
-
Internally consistent thermodynamic data set for dense hydrous magnesium silicates up to 35 GPa, 1600°C: Implications for water circulation in the Earth's deep mantle
-
doi: 10.1016/j.pepi.2006.02.002
-
Komabayashi, T., and, S. Omori, (2006), Internally consistent thermodynamic data set for dense hydrous magnesium silicates up to 35 GPa, 1600°C: Implications for water circulation in the Earth's deep mantle, Phys. Earth Planet. Inter., 156, 89-107, doi: 10.1016/j.pepi.2006.02.002.
-
(2006)
Phys. Earth Planet. Inter.
, vol.156
, pp. 89-107
-
-
Komabayashi, T.1
Omori, S.2
-
11
-
-
84952776228
-
Seismic evidence for subduction-transported water in the lower mantle
-
in., 168, edited by S. D. Jacobsen and S. van der Lee, AGU, Washington, D. C
-
Lawrence, J. F., and, M. E. Wysession, (2006), Seismic evidence for subduction-transported water in the lower mantle, in Earth's Deep Water Cycle, Geophys. Monogr. Ser., vol. 168, edited by, S. D. Jacobsen, and, S. van der Lee, pp. 251-261, AGU, Washington, D. C.
-
(2006)
Earth's Deep Water Cycle, Geophys. Monogr. Ser
, pp. 251-261
-
-
Lawrence, J.F.1
Wysession, M.E.2
-
12
-
-
35148886396
-
High hydrogen solubility in Al-rich stishovite and water transport in the lower mantle
-
doi: 10.1016/j.epsl.2007.08.015
-
Litasov, K. D., H. Kagi, A. Shatskiy, E. Ohtani, D. L. Lakshtanov, J. D. Bass, and, E. Ito, (2007), High hydrogen solubility in Al-rich stishovite and water transport in the lower mantle, Earth Planet. Sci. Lett., 262, 620-634, doi: 10.1016/j.epsl.2007.08.015.
-
(2007)
Earth Planet. Sci. Lett.
, vol.262
, pp. 620-634
-
-
Litasov, K.D.1
Kagi, H.2
Shatskiy, A.3
Ohtani, E.4
Lakshtanov, D.L.5
Bass, J.D.6
Ito, E.7
-
13
-
-
84855301453
-
Ground-state structures of ice at high pressures from ab initio random structure searching
-
doi: 10.1103/PhysRevB.84.220104
-
McMahon, J. M., (2011), Ground-state structures of ice at high pressures from ab initio random structure searching, Phys. Rev. B, 84, 220104(R), doi: 10.1103/PhysRevB.84.220104.
-
(2011)
Phys. Rev. B
, vol.84
-
-
McMahon, J.M.1
-
14
-
-
0037040610
-
Water in Earth's lower mantle
-
doi: 10.1126/science.1065998
-
Murakami, M., K. Hirose, H. Yurimoto, S. Nakashima, and, N. Takafuji, (2002), Water in Earth's lower mantle, Science, 295, 1885-1887, doi: 10.1126/science.1065998.
-
(2002)
Science
, vol.295
, pp. 1885-1887
-
-
Murakami, M.1
Hirose, K.2
Yurimoto, H.3
Nakashima, S.4
Takafuji, N.5
-
15
-
-
2342437587
-
Hydrogen incorporation in stishovite at high pressure and symmetric hydrogen bonding in δ-AlOOH
-
doi: 10.1016/S0012-821X(04)00100-1
-
Panero, W. R., and, L. P. Stixrude, (2004), Hydrogen incorporation in stishovite at high pressure and symmetric hydrogen bonding in δ-AlOOH, Earth Planet. Sci. Lett., 221, 421-431, doi: 10.1016/S0012-821X(04)00100-1.
-
(2004)
Earth Planet. Sci. Lett.
, vol.221
, pp. 421-431
-
-
Panero, W.R.1
Stixrude, L.P.2
-
16
-
-
84860339410
-
First principles determination of the structure and elasticity of hydrous ringwoodite
-
doi: 10.1029/2008JB006282
-
Panero, W. R., (2010), First principles determination of the structure and elasticity of hydrous ringwoodite, J. Geophys. Res., 115, B03203, doi: 10.1029/2008JB006282.
-
(2010)
J. Geophys. Res.
, vol.115
-
-
Panero, W.R.1
-
17
-
-
0027879862
-
Hydrogen in stishovite, with implications for mantle water content
-
doi: 10.1126/science.261.5124.1024
-
Pawley, A. R., P. F. McMillan, and, J. R. Holloway, (1993), Hydrogen in stishovite, with implications for mantle water content, Science, 261, 1024-1026, doi: 10.1126/science.261.5124.1024.
-
(1993)
Science
, vol.261
, pp. 1024-1026
-
-
Pawley, A.R.1
McMillan, P.F.2
Holloway, J.R.3
-
18
-
-
4243943295
-
Generalized gradient approximation made simple
-
doi: 10.1103/PhysRevLett.77.3865
-
Perdew, J. P., K. Burke, and, M. Ernzerhof, (1996), Generalized gradient approximation made simple, Phys. Rev. Lett., 77, 3865-3868, doi: 10.1103/PhysRevLett.77.3865.
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
19
-
-
0032448179
-
Experimentally based water budgets for dehydrating slabs and consequences for arc magma generation
-
doi: 10.1016/S0012-821X(98)00142-3
-
Schmidt, M. W., and, S. Poli, (1998), Experimentally based water budgets for dehydrating slabs and consequences for arc magma generation, Earth Planet. Sci. Lett., 163, 361-379, doi: 10.1016/S0012-821X(98)00142-3.
-
(1998)
Earth Planet. Sci. Lett.
, vol.163
, pp. 361-379
-
-
Schmidt, M.W.1
Poli, S.2
-
21
-
-
0345676513
-
Decomposition of phase D in the lower mantle and the fate of dense hydrous silicates in subducting slabs
-
doi: 10.1016/S0012-821X(98)00062-4
-
Shieh, S. R., H. -K. Mao, R. J. Hemley, and, L. C. Ming, (1998), Decomposition of phase D in the lower mantle and the fate of dense hydrous silicates in subducting slabs, Earth Planet. Sci. Lett., 159, 13-23, doi: 10.1016/S0012-821X(98)00062-4.
-
(1998)
Earth Planet. Sci. Lett.
, vol.159
, pp. 13-23
-
-
Shieh, S.R.1
Mao, H.-K.2
Hemley, R.J.3
Ming, L.C.4
-
22
-
-
0034656272
-
Insitu X-ray diffraction studies of dense hydrous magnesium silicates at mantle conditions
-
doi: 10.1016/S0012-821X(00)00033-9
-
Shieh, S. R., H. -K. Mao, R. J. Hemley, and, L. C. Ming, (2000), Insitu X-ray diffraction studies of dense hydrous magnesium silicates at mantle conditions, Earth Planet. Sci. Lett., 177, 69-80, doi: 10.1016/S0012-821X(00) 00033-9.
-
(2000)
Earth Planet. Sci. Lett.
, vol.177
, pp. 69-80
-
-
Shieh, S.R.1
Mao, H.-K.2
Hemley, R.J.3
Ming, L.C.4
-
23
-
-
0001426249
-
A new hydrous phase δ-AlOOH synthesized at 21 GPa and 1000 °c
-
doi: 10.1007/s002690000120
-
Suzuki, A., E. Ohtani, and, T. Kamada, (2000), A new hydrous phase δ-AlOOH synthesized at 21 GPa and 1000 °C, Phys. Chem. Minerals, 27, 689-693, doi: 10.1007/s002690000120.
-
(2000)
Phys. Chem. Minerals
, vol.27
, pp. 689-693
-
-
Suzuki, A.1
Ohtani, E.2
Kamada, T.3
-
24
-
-
33645426115
-
Efficient pseudopotential for plane wave calculations
-
doi: 10.1103/PhysRevB.43.1993
-
Troullier, N., and, J. L. Martins, (1991), Efficient pseudopotential for plane wave calculations, Phys. Rev. B., 43, 1993-2006, doi: 10.1103/PhysRevB.43. 1993.
-
(1991)
Phys. Rev. B.
, vol.43
, pp. 1993-2006
-
-
Troullier, N.1
Martins, J.L.2
-
25
-
-
0036820406
-
First principles calculation of a high-pressure hydrous phase δ-AlOOH
-
doi: 10.1029/2002GL015417
-
Tsuchiya, J., T. Tsuchiya, S. Tsuneyuki, and, T. Yamanaka, (2002), First principles calculation of a high-pressure hydrous phase δ-AlOOH, Geophys. Res. Lett., 29, 15-1-15-4, doi: 10.1029/2002GL015417.
-
(2002)
Geophys. Res. Lett.
, vol.29
, pp. 151-154
-
-
Tsuchiya, J.1
Tsuchiya, T.2
Tsuneyuki, S.3
Yamanaka, T.4
-
26
-
-
12444335915
-
First-principles study of a hydrogen bond symmetrization of phase D under pressure
-
doi: 10.2138/am.2005/1628
-
Tsuchiya, J., T. Tsuchiya, and, S. Tsuneyuki, (2005), First-principles study of a hydrogen bond symmetrization of phase D under pressure, Am. Mineral., 90, 44-49, doi: 10.2138/am.2005/1628.
-
(2005)
Am. Mineral.
, vol.90
, pp. 44-49
-
-
Tsuchiya, J.1
Tsuchiya, T.2
Tsuneyuki, S.3
-
27
-
-
67349246275
-
Elastic properties of δ-AlOOH under pressure: First principles investigation
-
doi: 10.1016/j.pepi.2009.01.008
-
Tsuchiya, J., and, T. Tsuchiya, (2009a), Elastic properties of δ-AlOOH under pressure: First principles investigation, Phys. Earth Planet. Inter., 174, 122-127, doi: 10.1016/j.pepi.2009.01.008.
-
(2009)
Phys. Earth Planet. Inter.
, vol.174
, pp. 122-127
-
-
Tsuchiya, J.1
Tsuchiya, T.2
-
28
-
-
66149188280
-
First principles investigation of the structural and elastic properties of hydrous wadsleyite under pressure
-
doi: 10.1029/2008jb005841
-
Tsuchiya, J., and, T. Tsuchiya, (2009b), First principles investigation of the structural and elastic properties of hydrous wadsleyite under pressure, J. Geophys. Res., 114, B02206, doi: 10.1029/2008jb005841.
-
(2009)
J. Geophys. Res.
, vol.114
-
-
Tsuchiya, J.1
Tsuchiya, T.2
-
29
-
-
79953197561
-
First-principles prediction of a high-pressure hydrous phase of AlOOH
-
054115, doi: 10.1103/PhysRevB.83.054115
-
Tsuchiya, J., and, T. Tsuchiya, (2011), First-principles prediction of a high-pressure hydrous phase of AlOOH, Phys. Rev. B, 83, 054115, doi: 10.1103/PhysRevB.83.054115.
-
(2011)
Phys. Rev. B
, vol.83
-
-
Tsuchiya, J.1
Tsuchiya, T.2
-
30
-
-
67650632758
-
4 polymorphs under high pressure
-
doi: 10.1016/j.epsl.2009.06.009
-
4 polymorphs under high pressure, Earth Planet. Sci. Lett., 285, 140-149, doi: 10.1016/j.epsl.2009.06.009.
-
(2009)
Earth Planet. Sci. Lett.
, vol.285
, pp. 140-149
-
-
Verma, A.K.1
Karki, B.B.2
|