-
1
-
-
84856247088
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.108.055501
-
F. A. Gorelli, S. F. Elatresh, C. L. Guillaume, M. Marqués, G. J. Ackland, M. Santoro, S. A. Bonev, and E. Gregoryanz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108.055501 108, 055501 (2012).
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 055501
-
-
Gorelli, F.A.1
Elatresh, S.F.2
Guillaume, C.L.3
Marqués, M.4
Ackland, G.J.5
Santoro, M.6
Bonev, S.A.7
Gregoryanz, E.8
-
2
-
-
79952122940
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.106.095502
-
M. Marqués, M. I. McMahon, E. Gregoryanz, M. Hanfland, C. L. Guillaume, C. J. Pickard, G. J. Ackland, and R. J. Nelmes, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.095502 106, 095502 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 095502
-
-
Marqués, M.1
McMahon, M.I.2
Gregoryanz, E.3
Hanfland, M.4
Guillaume, C.L.5
Pickard, C.J.6
Ackland, G.J.7
Nelmes, R.J.8
-
3
-
-
0000355921
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.54.7830
-
D. Porezag and M. R. Pederson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.7830 54, 7830 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 7830
-
-
Porezag, D.1
Pederson, M.R.2
-
4
-
-
0035535380
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.73.515
-
S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.73.515 73, 515 (2001).
-
(2001)
Rev. Mod. Phys.
, vol.73
, pp. 515
-
-
Baroni, S.1
De Gironcoli, S.2
Dal Corso, A.3
Giannozzi, P.4
-
5
-
-
33646036745
-
Variational density-functional perturbation theory for dielectrics and lattice dynamics
-
DOI 10.1103/PhysRevB.73.155114
-
K. Refson, P. R. Tulip, and S. J. Clark, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.155114 73, 155114 (2006). (Pubitemid 43608290)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.15
, pp. 155114
-
-
Refson, K.1
Tulip, P.R.2
Clark, S.J.3
-
7
-
-
0001383382
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.42.11276
-
C. Z. Wang, C. T. Chan, and K. M. Ho, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.42.11276 42, 11276 (1990).
-
(1990)
Phys. Rev. B
, vol.42
, pp. 11276
-
-
Wang, C.Z.1
Chan, C.T.2
Ho, K.M.3
-
8
-
-
0000446677
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.59.13642
-
U. Pinsook and G. J. Ackland, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.13642 59, 13642 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 13642
-
-
Pinsook, U.1
Ackland, G.J.2
-
9
-
-
77954883831
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.081411
-
J. A. Thomas, J. E. Turney, R. M. Iutzi, C. H. Amon, and A. J. H. McGaughey, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.081411 81, 081411 (R) (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 081411
-
-
Thomas, J.A.1
Turney, J.E.2
Iutzi, R.M.3
Amon, C.H.4
McGaughey, A.J.H.5
-
10
-
-
84859264140
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.85.094305
-
T. Lan, X. Tang, and B. Fultz, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.094305 85, 094305 (2012).
-
(2012)
Phys. Rev. B
, vol.85
, pp. 094305
-
-
Lan, T.1
Tang, X.2
Fultz, B.3
-
11
-
-
83755170334
-
-
EULEEJ 0295-5075 10.1209/0295-5075/96/66006
-
P. Souvatzis, S. Arapan, O. Eriksson, and M. Katsnelson, Europhys. Lett. EULEEJ 0295-5075 10.1209/0295-5075/96/66006 96, 66006 (2011).
-
(2011)
Europhys. Lett.
, vol.96
, pp. 66006
-
-
Souvatzis, P.1
Arapan, S.2
Eriksson, O.3
Katsnelson, M.4
-
12
-
-
77956958796
-
-
JCPSA6 0021-9606 10.1063/1.3481576
-
J. Sun, D. Bousquet, H. Forbert, and D. Marx, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3481576 133, 114508 (2010).
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 114508
-
-
Sun, J.1
Bousquet, D.2
Forbert, H.3
Marx, D.4
-
14
-
-
0001335414
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.78.2783
-
J. Kohanoff, S. Scandolo, G. L. Chiarotti, and E. Tosatti, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.2783 78, 2783 (1997).
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 2783
-
-
Kohanoff, J.1
Scandolo, S.2
Chiarotti, G.L.3
Tosatti, E.4
-
15
-
-
0001287630
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.83.4097
-
J. Kohanoff, S. Scandolo, S. de Gironcoli, and E. Tosatti, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.4097 83, 4097 (1999).
-
(1999)
Phys. Rev. Lett.
, vol.83
, pp. 4097
-
-
Kohanoff, J.1
Scandolo, S.2
De Gironcoli, S.3
Tosatti, E.4
-
16
-
-
12044250331
-
Ultrahigh-pressure transitions in solid hydrogen
-
DOI 10.1103/RevModPhys.66.671
-
H. K. Mao and R. J. Hemley, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.66.671 66, 671 (1994). (Pubitemid 24793184)
-
(1994)
Reviews of Modern Physics
, vol.66
, Issue.2
, pp. 671
-
-
Mao, H.-K.1
Hemley, R.J.2
-
17
-
-
84859034467
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.108.125501
-
R. T. Howie, C. L. Guillaume, T. Scheler, A. F. Goncharov, and E. Gregoryanz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108.125501 108, 125501 (2012).
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 125501
-
-
Howie, R.T.1
Guillaume, C.L.2
Scheler, T.3
Goncharov, A.F.4
Gregoryanz, E.5
-
20
-
-
33746597118
-
High-pressure phases of silane
-
DOI 10.1103/PhysRevLett.97.045504
-
C. J. Pickard and R. J. Needs, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.045504 97, 045504 (2006). (Pubitemid 44147322)
-
(2006)
Physical Review Letters
, vol.97
, Issue.4
, pp. 045504
-
-
Pickard, C.J.1
Needs, R.J.2
-
21
-
-
34547264361
-
-
1745-2473 10.1038/nphys625
-
C. J. Pickard and R. J. Needs, Nat. Phys. 1745-2473 10.1038/nphys625 3, 473 (2007).
-
(2007)
Nat. Phys.
, vol.3
, pp. 473
-
-
Pickard, C.J.1
Needs, R.J.2
-
22
-
-
84871097258
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.86.214104
-
R. T. Howie, T. Scheler, C. L. Guillaume, and E. Gregoryanz, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.214104 86, 214104 (2012).
-
(2012)
Phys. Rev. B
, vol.86
, pp. 214104
-
-
Howie, R.T.1
Scheler, T.2
Guillaume, C.L.3
Gregoryanz, E.4
-
23
-
-
84873308468
-
-
10.1088/0953-8984/25/8/085402
-
X.-Z. Li, B. Walker, M. I. J. Probert, C. J. Pickard, R. J. Needs, and A. Michaelides, J. Phys.: Condens. Matter 10.1088/0953-8984/25/8/085402 25, 085402 (2013).
-
(2013)
J. Phys.: Condens. Matter
, vol.25
, pp. 085402
-
-
Li, X.-Z.1
Walker, B.2
Probert, M.I.J.3
Pickard, C.J.4
Needs, R.J.5
Michaelides, A.6
-
24
-
-
84873416945
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.110.065702
-
M. A. Morales, J. M. McMahon, C. Pierleoni, and D. M. Ceperley, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.110.065702 110, 065702 (2013).
-
(2013)
Phys. Rev. Lett.
, vol.110
, pp. 065702
-
-
Morales, M.A.1
McMahon, J.M.2
Pierleoni, C.3
Ceperley, D.M.4
-
25
-
-
77951924173
-
-
1742-6588 10.1088/1742-6596/215/1/012056
-
Y. Akahama, H. Kawamura, N. Hirao, Y. Ohishi, and K. Takemura, J. Phys.: Conf. Ser. 1742-6588 10.1088/1742-6596/215/1/012056 215, 012056 (2010).
-
(2010)
J. Phys.: Conf. Ser.
, vol.215
, pp. 012056
-
-
Akahama, Y.1
Kawamura, H.2
Hirao, N.3
Ohishi, Y.4
Takemura, K.5
-
26
-
-
77957363399
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.060101
-
Y. Akahama, M. Nishimura, H. Kawamura, N. Hirao, Y. Ohishi, and K. Takemura, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.060101 82, 060101 (R) (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 060101
-
-
Akahama, Y.1
Nishimura, M.2
Kawamura, H.3
Hirao, N.4
Ohishi, Y.5
Takemura, K.6
-
27
-
-
0037061462
-
Optical studies of solid hydrogen to 320 GPa and evidence for black hydrogen
-
DOI 10.1038/416613a
-
P. Loubeyre, F. Occelli, and R. Letoullec, Nature (London) NATUAS 0028-0836 10.1038/416613a 416, 613 (2002). (Pubitemid 34406757)
-
(2002)
Nature
, vol.416
, Issue.6881
, pp. 613-617
-
-
Loubeyre, P.1
Occelli, F.2
LeToullec, R.3
-
28
-
-
84859609461
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.108.146402
-
C.-S. Zha, Z. Liu, and R. J. Hemley, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108.146402 108, 146402 (2012).
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 146402
-
-
Zha, C.-S.1
Liu, Z.2
Hemley, R.J.3
-
29
-
-
0001084131
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.53.14806
-
H. C. Hsueh, M. C. Warren, H. Vass, G. J. Ackland, S. J. Clark, and J. Crain, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.53.14806 53, 14806 (1996).
-
(1996)
Phys. Rev. B
, vol.53
, pp. 14806
-
-
Hsueh, H.C.1
Warren, M.C.2
Vass, H.3
Ackland, G.J.4
Clark, S.J.5
Crain, J.6
-
30
-
-
0037171005
-
First-principles simulation: Ideas, illustrations and the CASTEP code
-
DOI 10.1088/0953-8984/14/11/301, PII S0953898402328315
-
M. D. Segall, P. J. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, and M. C. Payne, J. Phys.: Condens. Matter 10.1088/0953-8984/14/11/301 14, 2717 (2002). (Pubitemid 34288361)
-
(2002)
Journal of Physics Condensed Matter
, vol.14
, Issue.11
, pp. 2717-2744
-
-
Segall, M.D.1
Lindan, P.J.D.2
Probert, M.J.3
Pickard, C.J.4
Hasnip, P.J.5
Clark, S.J.6
Payne, M.C.7
-
32
-
-
84878599167
-
-
Using the input string 'H0|0.7|2|6|8|10L(qc=10)' in the castep parameter file
-
Using the input string ' H 0 | 0.7 | 2 | 6 | 8 | 10 L (qc = 10) ' in the castep parameter file.
-
-
-
-
33
-
-
84878557014
-
-
We note that convergence of the Raman signal requires a much higher k-point sampling than either structure or phonon calculations.
-
We note that convergence of the Raman signal requires a much higher k -point sampling than either structure or phonon calculations.
-
-
-
-
34
-
-
84878546021
-
-
See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.87.174110 for additional illustrations and technical details.
-
-
-
-
35
-
-
84872159961
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.110.025903
-
H. Liu and Y. Ma, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 110.025903 110, 025903 (2013);
-
(2013)
Phys. Rev. Lett.
, vol.110
, pp. 025903
-
-
Liu, H.1
Ma, Y.2
-
36
-
-
84865202737
-
-
JCPSA6 0021-9606 10.1063/1.4745186
-
H. Liu, L. Zhu, W. Cui, and Y. Ma, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.4745186 137, 074501 (2012).
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 074501
-
-
Liu, H.1
Zhu, L.2
Cui, W.3
Ma, Y.4
-
37
-
-
84872224999
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.87.024101
-
A. F. Goncharov, J. S. Tse, H. Wang, J. Yang, V. V. Struzhkin, R. T. Howie, and E. Gregoryanz, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.87. 024101 87, 024101 (2013).
-
(2013)
Phys. Rev. B
, vol.87
, pp. 024101
-
-
Goncharov, A.F.1
Tse, J.S.2
Wang, H.3
Yang, J.4
Struzhkin, V.V.5
Howie, R.T.6
Gregoryanz, E.7
-
38
-
-
76549088280
-
-
PNASA6 0027-8424 10.1073/pnas.0912404107
-
M. A. Morales, C. Pierleoni, E. Schwegler, and D. M. Ceperley, Proc. Natl. Acad. Sci. USA PNASA6 0027-8424 10.1073/pnas.0912404107 107, 12 (2010).
-
(2010)
Proc. Natl. Acad. Sci. USA
, vol.107
, pp. 12
-
-
Morales, M.A.1
Pierleoni, C.2
Schwegler, E.3
Ceperley, D.M.4
-
39
-
-
78649742936
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.195107
-
W. Lorenzen, B. Holst, and R. Redmer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.195107 82, 195107 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 195107
-
-
Lorenzen, W.1
Holst, B.2
Redmer, R.3
|