-
1
-
-
0000152348
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.80.5160
-
S. Serra, G. Chiarotti, S. Scandolo, and E. Tosatti, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.5160 80, 5160 (1998).
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 5160
-
-
Serra, S.1
Chiarotti, G.2
Scandolo, S.3
Tosatti, E.4
-
2
-
-
0037141323
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.88.205503
-
J. B. Neaton and N. W. Ashcroft, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.205503 88, 205503 (2002).
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 205503
-
-
Neaton, J.B.1
Ashcroft, N.W.2
-
3
-
-
26944491399
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.94.205701
-
I. N. Goncharenko, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 94.205701 94, 205701 (2005).
-
(2005)
Phys. Rev. Lett.
, vol.94
, pp. 205701
-
-
Goncharenko, I.N.1
-
4
-
-
33748122525
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.97.085503
-
H. Fujihisa, Y. Akahama, H. Kawamura, Y. Ohishi, O. Shimomura, H. Yamawaki, M. Sakashita, Y. Gotoh, S. Takeya, and K. Honda, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.085503 97, 085503 (2006).
-
(2006)
Phys. Rev. Lett.
, vol.97
, pp. 085503
-
-
Fujihisa, H.1
Akahama, Y.2
Kawamura, H.3
Ohishi, Y.4
Shimomura, O.5
Yamawaki, H.6
Sakashita, M.7
Gotoh, Y.8
Takeya, S.9
Honda, K.10
-
5
-
-
33748655173
-
-
NATUAS 0028-0836 10.1038/nature05174
-
L. F. Lundegaard, G. Weck, M. I. McMahon, S. Desgrenier, and P. Loubeyre, Nature (London) NATUAS 0028-0836 10.1038/nature05174 443, 201 (2006).
-
(2006)
Nature (London)
, vol.443
, pp. 201
-
-
Lundegaard, L.F.1
Weck, G.2
McMahon, M.I.3
Desgrenier, S.4
Loubeyre, P.5
-
7
-
-
4143055523
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.74.4690
-
Y. Akahama, H. Kawamura, D. Hausermann, M. Hanfland, and O. Shimomura, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.74.4690 74, 4690 (1995).
-
(1995)
Phys. Rev. Lett.
, vol.74
, pp. 4690
-
-
Akahama, Y.1
Kawamura, H.2
Hausermann, D.3
Hanfland, M.4
Shimomura, O.5
-
8
-
-
0032565957
-
-
NATUAS 0028-0836 10.1038/31656
-
K. Shimizu, K. Suhara, M. Ikumo, K. Amaya, and S. Endo, Nature (London) NATUAS 0028-0836 10.1038/31656 393, 767 (1998).
-
(1998)
Nature (London)
, vol.393
, pp. 767
-
-
Shimizu, K.1
Suhara, K.2
Ikumo, M.3
Amaya, K.4
Endo, S.5
-
11
-
-
84977298153
-
-
ASBSDK 0108-7681 10.1107/S0108768183002219
-
D. Schiferl, D. Cromer, L. Schwalbe, and R. Mills, Acta Crystallogr., Sect. B: Struct. Sci. ASBSDK 0108-7681 10.1107/S0108768183002219 39, 153 (1983).
-
(1983)
Acta Crystallogr., Sect. B: Struct. Sci.
, vol.39
, pp. 153
-
-
Schiferl, D.1
Cromer, D.2
Schwalbe, L.3
Mills, R.4
-
12
-
-
0038710774
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.65.172106
-
F. A. Gorelli, M. Santoro, L. Ulivi, and M. Hanfland, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.172106 65, 172106 (2002).
-
(2002)
Phys. Rev. B
, vol.65
, pp. 172106
-
-
Gorelli, F.A.1
Santoro, M.2
Ulivi, L.3
Hanfland, M.4
-
13
-
-
45849154654
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.88.035504
-
G. Weck, P. Loubeyre, and R. LeToullec, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.035504 88, 035504 (2002).
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 035504
-
-
Weck, G.1
Loubeyre, P.2
Letoullec, R.3
-
14
-
-
0142151591
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.68.100102
-
A. F. Goncharov, E. Gregoryanz, R. J. Hemley, and H. K. Mao, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.100102 68, 100102 (R) (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 100102
-
-
Goncharov, A.F.1
Gregoryanz, E.2
Hemley, R.J.3
Mao, H.K.4
-
15
-
-
33745634670
-
-
JCPSA6 0021-9606 10.1063/1.2210932
-
A. R. Oganov and C. W. Glass, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2210932 124, 244704 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 244704
-
-
Oganov, A.R.1
Glass, C.W.2
-
19
-
-
2442537377
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
-
G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169
-
-
Kresse, G.1
Furthmüller, J.2
-
20
-
-
25744460922
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
-
P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blöchl, P.E.1
-
21
-
-
0011236321
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.59.1758
-
G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
22
-
-
0000111746
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.58.1861
-
S. Baroni, P. Giannozzi, and A. Testa, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.58.1861 58, 1861 (1987).
-
(1987)
Phys. Rev. Lett.
, vol.58
, pp. 1861
-
-
Baroni, S.1
Giannozzi, P.2
Testa, A.3
-
23
-
-
33744678467
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.43.7231
-
P. Giannozzi, S. de Gironcoli, P. Pavone, and S. Baroni, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.7231 43, 7231 (1991).
-
(1991)
Phys. Rev. B
, vol.43
, pp. 7231
-
-
Giannozzi, P.1
De Gironcoli, S.2
Pavone, P.3
Baroni, S.4
-
24
-
-
34547571105
-
-
S. Baroni, A. Dal Corso, S. de Gironcoli, P. Giannozzi, C. Cavazzoni, G. Ballabio, S. Scandolo, G. Chiarotti, P. Focher, A. Pasquarello, K. Laasonen, A. Trave, R. Car, N. Marzari, and A. Kokalj, http://www.pwscf.org/. In the structure optimizations and phonon calculations for ε- O8 and ζ-C2/m, the GGA exchange-correlation functional and ultrasoft pseudopotentials are employed. We use the kinetic energy cutoff of 408 eV. We sample the Brillouin zone using the Monkhorst-Pack grid of 10×10×12 for the ε- O8 structure and 12×12×10 for ζ-C2/m.
-
-
-
Baroni, S.1
Dal Corso, A.2
De Gironcoli, S.3
Giannozzi, P.4
Cavazzoni, C.5
Ballabio, G.6
Scandolo, S.7
Chiarotti, G.8
Focher, P.9
Pasquarello, A.10
Laasonen, K.11
Trave, A.12
Car, R.13
Marzari, N.14
Kokalj, A.15
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