-
2
-
-
0041944461
-
-
10.1088/0959-5309/58/2/301
-
H. D. Megaw, Proc. Phys. Soc. London 58, 133 (1946). 10.1088/0959-5309/ 58/2/301
-
(1946)
Proc. Phys. Soc. London
, vol.58
, pp. 133
-
-
Megaw, H.D.1
-
3
-
-
0040886021
-
-
edited by K.-H. Hellwege and A. M. Hellwege Springer, Berlin
-
W. Pies and A. Weiss, in Landolt-Börnstein: Numerical Data and Functional Relationships in Science and Technology, edited by, K.-H. Hellwege, and, A. M. Hellwege, (Springer, Berlin, 1975), Vols. 7b1 and 7e.
-
(1975)
Landolt-Börnstein: Numerical Data and Functional Relationships in Science and Technology
, vol.71
-
-
Pies, W.1
Weiss, A.2
-
5
-
-
34548094262
-
-
10.1103/PhysRevB.42.6416
-
R. E. Cohen and H. Krakauer, Phys. Rev. B 42, 6416 (1990). 10.1103/PhysRevB.42.6416
-
(1990)
Phys. Rev. B
, vol.42
, pp. 6416
-
-
Cohen, R.E.1
Krakauer, H.2
-
7
-
-
0141564949
-
-
10.1146/annurev.matsci.33.022802.091825
-
K. D. Kreuer, Annu. Rev. Mater. Res. 33, 333 (2003). 10.1146/annurev. matsci.33.022802.091825
-
(2003)
Annu. Rev. Mater. Res.
, vol.33
, pp. 333
-
-
Kreuer, K.D.1
-
9
-
-
0035875291
-
-
10.1063/1.1369399
-
P. S. Dobal, A. Dixit, R. S. Katiyar, Z. Yu, R. Guo, and A. S. Bhalla, J. Appl. Phys. 89, 8085 (2001). 10.1063/1.1369399
-
(2001)
J. Appl. Phys.
, vol.89
, pp. 8085
-
-
Dobal, P.S.1
Dixit, A.2
Katiyar, R.S.3
Yu, Z.4
Guo, R.5
Bhalla, A.S.6
-
10
-
-
29744455567
-
-
10.1103/PhysRevB.72.205104
-
A. R. Akbarzadeh, I. Kornev, C. Malibert, L. Bellaiche, and J. M. Kiat, Phys. Rev. B 72, 205104 (2005). 10.1103/PhysRevB.72.205104
-
(2005)
Phys. Rev. B
, vol.72
, pp. 205104
-
-
Akbarzadeh, A.R.1
Kornev, I.2
Malibert, C.3
Bellaiche, L.4
Kiat, J.M.5
-
16
-
-
0037092854
-
-
10.1103/PhysRevB.65.193107
-
B. Magyari-Kope, L. Vitos, G. Grimvall, B. Johansson, and J. Kollar, Phys. Rev. B 65, 193107 (2002). 10.1103/PhysRevB.65.193107
-
(2002)
Phys. Rev. B
, vol.65
, pp. 193107
-
-
Magyari-Kope, B.1
Vitos, L.2
Grimvall, G.3
Johansson, B.4
Kollar, J.5
-
17
-
-
34250201517
-
-
10.1021/cm070291b
-
A. Bilić and J. D. Gale, Chem. Mater. 19, 2842 (2007). 10.1021/cm070291b
-
(2007)
Chem. Mater.
, vol.19
, pp. 2842
-
-
Bilić, A.1
Gale, J.D.2
-
19
-
-
25144511507
-
-
10.1063/1.2035099
-
M. A. Gomez, M. A. Griffin, S. Jindal, K. D. Rule, and V. R. Cooper, J. Chem. Phys. 123, 094703 (2005). 10.1063/1.2035099
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 094703
-
-
Gomez, M.A.1
Griffin, M.A.2
Jindal, S.3
Rule, K.D.4
Cooper, V.R.5
-
20
-
-
28944444412
-
-
10.1016/j.ssi.2005.09.044
-
M. E. Björketun, P. G. Sundell, G. Wahnström, and D. Engberg, Solid State Ionics 176, 3035 (2005). 10.1016/j.ssi.2005.09.044
-
(2005)
Solid State Ionics
, vol.176
, pp. 3035
-
-
Björketun, M.E.1
Sundell, P.G.2
Wahnström, G.3
Engberg, D.4
-
23
-
-
29744469797
-
-
10.1103/PhysRevB.72.094303
-
M. Karlsson, M. E. Bjorketun, P. G. Sundell, A. Matic, G. Wahnstrom, D. Engberg, L. Borjesson, I. Ahmed, S. Eriksson, and P. Berastegui, Phys. Rev. B 72, 094303 (2005). 10.1103/PhysRevB.72.094303
-
(2005)
Phys. Rev. B
, vol.72
, pp. 094303
-
-
Karlsson, M.1
Bjorketun, M.E.2
Sundell, P.G.3
Matic, A.4
Wahnstrom, G.5
Engberg, D.6
Borjesson, L.7
Ahmed, I.8
Eriksson, S.9
Berastegui, P.10
-
24
-
-
84869350589
-
-
M. E. Björketun, private communication to A. Bilić.
-
-
-
Björketun, M.E.1
-
25
-
-
84869350584
-
-
The pseudopotential for Zr and associated basis set can be downloaded from URL
-
The pseudopotential for Zr and associated basis set can be downloaded from URL http://www.eminerals.org/siesta.
-
-
-
-
26
-
-
33744500483
-
-
10.1039/b600485g
-
J.-R. Martinez, C. E. Mohn, S. Stølen, and R. Søndenå , Phys. Chem. Chem. Phys. 8, 2036 (2006). 10.1039/b600485g
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 2036
-
-
Martinez, J.-R.1
Mohn, C.E.2
Stølen, S.3
Søndenå, R.4
-
27
-
-
12844286241
-
-
10.1103/PhysRevB.47.558
-
G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993). 10.1103/PhysRevB.47.558
-
(1993)
Phys. Rev. B
, vol.47
, pp. 558
-
-
Kresse, G.1
Hafner, J.2
-
29
-
-
33644949409
-
-
10.1103/PhysRevB.72.054114
-
M. Ghita, M. Fornari, D. J. Singh, and S. V. Halilov, Phys. Rev. B 72, 054114 (2005). 10.1103/PhysRevB.72.054114
-
(2005)
Phys. Rev. B
, vol.72
, pp. 054114
-
-
Ghita, M.1
Fornari, M.2
Singh, D.J.3
Halilov, S.V.4
-
30
-
-
17444399385
-
-
10.1002/pssb.200402142
-
R. Terki, H. Feraoun, G. Bertrand, and H. Aourag, Phys. Status Solidi B 242, 1054 (2005). 10.1002/pssb.200402142
-
(2005)
Phys. Status Solidi B
, vol.242
, pp. 1054
-
-
Terki, R.1
Feraoun, H.2
Bertrand, G.3
Aourag, H.4
-
31
-
-
84869366064
-
-
R. Khenata, M. Sahnoun, H. Baltache, M. Rérat, A. H. Rashek, N. Illesa, and B. Bouhafs, Solid State Commun. 136, 1054 (2005).
-
(2005)
Solid State Commun.
, vol.136
, pp. 1054
-
-
Khenata, R.1
Sahnoun, M.2
Baltache, H.3
Rérat, M.4
Rashek, A.H.5
Illesa, N.6
Bouhafs, B.7
-
32
-
-
34248339108
-
-
10.1016/j.commatsci.2006.10.012
-
N. Iles, A. Kellou, K. D. Khodja, B. Amrani, F. Lemoigno, D. Bourbie, and H. Aourag, Comput. Mater. Sci. 39, 896 (2007). 10.1016/j.commatsci.2006.10.012
-
(2007)
Comput. Mater. Sci.
, vol.39
, pp. 896
-
-
Iles, N.1
Kellou, A.2
Khodja, K.D.3
Amrani, B.4
Lemoigno, F.5
Bourbie, D.6
Aourag, H.7
-
33
-
-
84869360274
-
-
S. Baroni, URL http://www.pwscf.org.
-
-
-
Baroni, S.1
-
34
-
-
84869350586
-
-
http://www.quantum-espresso.org
-
-
-
-
35
-
-
0006838610
-
-
10.1002/(SICI)1097-461X(1997)65:5<453::AID-QUA9>3.0.CO;2-V
-
D. Sánchez-Portal, P. Ordejón, E. Artacho, and J. M. Soler, Int. J. Quantum Chem. 65, 453 (1997). 10.1002/(SICI)1097-461X(1997)65:5<453: :AID-QUA9>3.0.CO;2-V
-
(1997)
Int. J. Quantum Chem.
, vol.65
, pp. 453
-
-
Sánchez-Portal, D.1
Ordejón, P.2
Artacho, E.3
Soler, J.M.4
-
36
-
-
0037171091
-
-
10.1088/0953-8984/14/11/302
-
J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002). 10.1088/0953-8984/14/11/302
-
(2002)
J. Phys.: Condens. Matter
, vol.14
, pp. 2745
-
-
Soler, J.M.1
Artacho, E.2
Gale, J.D.3
García, A.4
Junquera, J.5
Ordejón, P.6
Sánchez-Portal, D.7
-
37
-
-
20544463457
-
-
10.1103/PhysRevB.41.7892
-
D. Vanderbilt, Phys. Rev. B 41, 7892 (1990). 10.1103/PhysRevB.41.7892
-
(1990)
Phys. Rev. B
, vol.41
, pp. 7892
-
-
Vanderbilt, D.1
-
38
-
-
33645898818
-
-
10.1103/PhysRevB.45.13244
-
J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). 10.1103/PhysRevB.45.13244
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13244
-
-
Perdew, J.P.1
Wang, Y.2
-
39
-
-
26144450583
-
-
10.1103/PhysRevB.23.5048
-
J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981). 10.1103/PhysRevB.23.5048
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048
-
-
Perdew, J.P.1
Zunger, A.2
-
40
-
-
0035535380
-
-
10.1103/RevModPhys.73.515
-
S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. 73, 515 (2001). 10.1103/RevModPhys.73.515
-
(2001)
Rev. Mod. Phys.
, vol.73
, pp. 515
-
-
Baroni, S.1
De Gironcoli, S.2
Dal Corso, A.3
Giannozzi, P.4
-
42
-
-
25744460922
-
-
10.1103/PhysRevB.50.17953
-
P. E. Blochl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50.17953
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blochl, P.E.1
-
43
-
-
0011236321
-
-
10.1103/PhysRevB.59.1758
-
G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
48
-
-
33745208986
-
-
10.1103/PhysRevB.73.235116
-
Z. Wu and R. E. Cohen, Phys. Rev. B 73, 235116 (2006). 10.1103/PhysRevB.73.235116
-
(2006)
Phys. Rev. B
, vol.73
, pp. 235116
-
-
Wu, Z.1
Cohen, R.E.2
-
51
-
-
0035894201
-
-
10.1103/PhysRevB.64.235111
-
J. Junquera, O. Paz, D. Sanchez-Portal, and E. Artacho, Phys. Rev. B 64, 235111 (2001). 10.1103/PhysRevB.64.235111
-
(2001)
Phys. Rev. B
, vol.64
, pp. 235111
-
-
Junquera, J.1
Paz, O.2
Sanchez-Portal, D.3
Artacho, E.4
-
52
-
-
0037841724
-
-
10.1103/PhysRevB.67.155327
-
J. Junquera, M. Zimmer, P. Ordejón, and P. Ghosez, Phys. Rev. B 67, 155327 (2003). 10.1103/PhysRevB.67.155327
-
(2003)
Phys. Rev. B
, vol.67
, pp. 155327
-
-
Junquera, J.1
Zimmer, M.2
Ordejón, P.3
Ghosez, P.4
-
54
-
-
0030430310
-
-
L. Stixrude, R. E. Cohen, R. Yu, and H. Krakauer, Am. Mineral. 81, 1293 (1996).
-
(1996)
Am. Mineral.
, vol.81
, pp. 1293
-
-
Stixrude, L.1
Cohen, R.E.2
Yu, R.3
Krakauer, H.4
-
55
-
-
0036753025
-
-
10.1103/PhysRevB.66.092103
-
B. Magyari-Kope, L. Vitos, B. Johansson, and J. Kollar, Phys. Rev. B 66, 092103 (2002). 10.1103/PhysRevB.66.092103
-
(2002)
Phys. Rev. B
, vol.66
, pp. 092103
-
-
Magyari-Kope, B.1
Vitos, L.2
Johansson, B.3
Kollar, J.4
-
56
-
-
43649088707
-
-
edited by H. Krakauer (American Institue of Physics, New York
-
I. Grinberg, N. J. Ramer, and A. M. Rappe, in Fundamental Physics of Ferroelectrics, edited by, H. Krakauer, (American Institue of Physics, New York, 2001), p. 211.
-
(2001)
Fundamental Physics of Ferroelectrics
, pp. 211
-
-
Grinberg, I.1
Ramer, N.J.2
Rappe, A.M.3
-
58
-
-
0031507244
-
-
10.1143/JPSJ.66.1033
-
Y. Kuroiwa, A. Konishi, T. Shobu, Y. Noda, K. Fuchizaki, Y. M. Y. Y. Yamada, H. R. Child, H. Chou, and S. C. Moss, J. Phys. Soc. Jpn. 66, 1033 (1997). 10.1143/JPSJ.66.1033
-
(1997)
J. Phys. Soc. Jpn.
, vol.66
, pp. 1033
-
-
Kuroiwa, Y.1
Konishi, A.2
Shobu, T.3
Noda, Y.4
Fuchizaki, K.5
Yamada, Y.M.Y.Y.6
Child, H.R.7
Chou, H.8
Moss, S.C.9
|