-
1
-
-
0042113153
-
-
W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
-
(1965)
Phys. Rev.
, vol.140
, pp. A1133
-
-
Kohn, W.1
Sham, L.J.2
-
4
-
-
77954893880
-
-
D. Spagnoli, K. Refson, K. Wright, and J. D. Gale, Phys. Rev. B 81, 094106 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.81.094106
-
(2010)
Phys. Rev. B
, vol.81
, pp. 094106
-
-
Spagnoli, D.1
Refson, K.2
Wright, K.3
Gale, J.D.4
-
9
-
-
0000677882
-
-
S. Fritsch, J. E. Post, S. L. Suib, and A. Navrotsky, Chem. Mater. 10, 474 (1998). CMATEX 0897-4756 10.1021/cm970104h
-
(1998)
Chem. Mater.
, vol.10
, pp. 474
-
-
Fritsch, S.1
Post, J.E.2
Suib, S.L.3
Navrotsky, A.4
-
11
-
-
0019610977
-
-
J. C. Hunter, J. Solid State Chem. 39, 142 (1981). JSSCBI 0022-4596 10.1016/0022-4596(81)90323-6
-
(1981)
J. Solid State Chem.
, vol.39
, pp. 142
-
-
Hunter, J.C.1
-
13
-
-
79951932188
-
-
W. Wei, X. Cui, W. Chen, and D. G. Ivey, Chem. Soc. Rev. 40, 1697 (2011). 0306-0012 10.1039/C0CS00127A
-
(2011)
Chem. Soc. Rev.
, vol.40
, pp. 1697
-
-
Wei, W.1
Cui, X.2
Chen, W.3
Ivey, D.G.4
-
14
-
-
84874882943
-
-
D. M. Robinson, Y. B. Go, M. Mui, G. Gardner, Z. Zhang, D. Mastrogiovanni, E. Garfunkel, J. Li, M. Greenblatt, and G. C. Dismukes, J. Am. Chem. Soc. 135, 3494 (2013). JACSAT 0002-7863 10.1021/ja310286h
-
(2013)
J. Am. Chem. Soc.
, vol.135
, pp. 3494
-
-
Robinson, D.M.1
Go, Y.B.2
Mui, M.3
Gardner, G.4
Zhang, Z.5
Mastrogiovanni, D.6
Garfunkel, E.7
Li, J.8
Greenblatt, M.9
Dismukes, G.C.10
-
15
-
-
0035806625
-
-
B. Ammundsen and J. Paulsen, Adv. Mater. 13, 943 (2001). ADVMEW 0935-9648 10.1002/1521-4095(200107)13:12/13%3C943::AID-ADMA943%3E3.0.CO;2-J
-
(2001)
Adv. Mater.
, vol.13
, pp. 943
-
-
Ammundsen, B.1
Paulsen, J.2
-
16
-
-
34347326216
-
-
C. Franchini, R. Podloucky, J. Paier, M. Marsman, and G. Kresse, Phys. Rev. B 75, 195128 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.75.195128
-
(2007)
Phys. Rev. B
, vol.75
, pp. 195128
-
-
Franchini, C.1
Podloucky, R.2
Paier, J.3
Marsman, M.4
Kresse, G.5
-
17
-
-
0038376681
-
-
D. Balachandran, D. Morgan, G. Ceder, and A. van de Walle, J. Solid State Chem. 173, 462 (2003). JSSCBI 0022-4596 10.1016/S0022-4596(03)00023-9
-
(2003)
J. Solid State Chem.
, vol.173
, pp. 462
-
-
Balachandran, D.1
Morgan, D.2
Ceder, G.3
Van De Walle, A.4
-
18
-
-
25144461605
-
-
T. X. T. Sayle, C. R. A. Catlow, R. R. Maphanga, P. E. Ngoepe, and D. C. Sayle, J. Am. Chem. Soc. 127, 12828 (2005). JACSAT 0002-7863 10.1021/ja0434073
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 12828
-
-
Sayle, T.X.T.1
Catlow, C.R.A.2
Maphanga, R.R.3
Ngoepe, P.E.4
Sayle, D.C.5
-
22
-
-
41849095114
-
-
J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett. 100, 136406 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 136406
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
Constantin, L.A.6
Zhou, X.7
Burke, K.8
-
24
-
-
0001486791
-
-
S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 57, 1505 (1998). PRBMDO 1098-0121 10.1103/PhysRevB.57.1505
-
(1998)
Phys. Rev. B
, vol.57
, pp. 1505
-
-
Dudarev, S.L.1
Botton, G.A.2
Savrasov, S.Y.3
Humphreys, C.J.4
Sutton, A.P.5
-
28
-
-
77957555115
-
-
V. L. Chevrier, S. P. Ong, R. Armiento, M. K. Y. Chan, and G. Ceder, Phys. Rev. B 82, 075122 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.075122
-
(2010)
Phys. Rev. B
, vol.82
, pp. 075122
-
-
Chevrier, V.L.1
Ong, S.P.2
Armiento, R.3
Chan, M.K.Y.4
Ceder, G.5
-
29
-
-
84860443035
-
-
G. Hautier, S. P. Ong, A. Jain, C. J. Moore, and G. Ceder, Phys. Rev. B 85, 155208 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.85.155208
-
(2012)
Phys. Rev. B
, vol.85
, pp. 155208
-
-
Hautier, G.1
Ong, S.P.2
Jain, A.3
Moore, C.J.4
Ceder, G.5
-
31
-
-
57449088398
-
-
J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett. 101, 239702 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.101.239702
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 239702
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
Constantin, L.A.6
Zhou, X.7
Burke, K.8
-
32
-
-
0242593713
-
-
J. Tao, J. P. Perdew, V. N. Staroverov, and G. E. Scuseria, Phys. Rev. Lett. 91, 146401 (2003). PRLTAO 0031-9007 10.1103/PhysRevLett.91.146401
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 146401
-
-
Tao, J.1
Perdew, J.P.2
Staroverov, V.N.3
Scuseria, G.E.4
-
35
-
-
84864463209
-
-
J. M. del Campo, J. L. Gzquez, S. Trickey, and A. Vela, Chem. Phys. Lett. 543, 179 (2012). CHPLBC 0009-2614 10.1016/j.cplett.2012.06.025
-
(2012)
Chem. Phys. Lett.
, vol.543
, pp. 179
-
-
Del Campo, J.M.1
Gzquez, J.L.2
Trickey, S.3
Vela, A.4
-
37
-
-
84884256934
-
-
J. Sun, B. Xiao, Y. Fang, R. Haunschild, P. Hao, A. Ruzsinszky, G. I. Csonka, G. E. Scuseria, and J. P. Perdew, Phys. Rev. Lett. 111, 106401 (2013). PRLTAO 0031-9007 10.1103/PhysRevLett.111.106401
-
(2013)
Phys. Rev. Lett.
, vol.111
, pp. 106401
-
-
Sun, J.1
Xiao, B.2
Fang, Y.3
Haunschild, R.4
Hao, P.5
Ruzsinszky, A.6
Csonka, G.I.7
Scuseria, G.E.8
Perdew, J.P.9
-
40
-
-
84887106552
-
-
Y. Crespo and N. Seriani, Phys. Rev. B 88, 144428 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.144428
-
(2013)
Phys. Rev. B
, vol.88
, pp. 144428
-
-
Crespo, Y.1
Seriani, N.2
-
42
-
-
24044514287
-
-
N. Yamamoto, T. Endo, M. Shimada, and T. Takada, Jpn. J. Appl. Phys. 13, 723 (1974). JAPLD8 0021-4922 10.1143/JJAP.13.723
-
(1974)
Jpn. J. Appl. Phys.
, vol.13
, pp. 723
-
-
Yamamoto, N.1
Endo, T.2
Shimada, M.3
Takada, T.4
-
43
-
-
0001018042
-
-
J. E. Greedan, N. P. Raju, A. S. Wills, C. Morin, S. M. Shaw, and J. N. Reimers, Chem. Mater. 10, 3058 (1998). CMATEX 0897-4756 10.1021/cm9801789
-
(1998)
Chem. Mater.
, vol.10
, pp. 3058
-
-
Greedan, J.E.1
Raju, N.P.2
Wills, A.S.3
Morin, C.4
Shaw, S.M.5
Reimers, J.N.6
-
44
-
-
0035395423
-
-
L. Guo, D. Peng, H. Makino, T. Hanada, S. Hong, K. Sumiyama, T. Yao, and K. Inaba, J. Appl. Phys. 90, 351 (2001). JAPIAU 0021-8979 10.1063/1.1377303
-
(2001)
J. Appl. Phys.
, vol.90
, pp. 351
-
-
Guo, L.1
Peng, D.2
Makino, H.3
Hanada, T.4
Hong, S.5
Sumiyama, K.6
Yao, T.7
Inaba, K.8
-
45
-
-
56549113678
-
-
H. T. Zhu, J. Luo, H. X. Yang, J. K. Liang, G. H. Rao, J. B. Li, and Z. M. Du, J. Phys. Chem. C 112, 17089 (2008). 1932-7447 10.1021/jp804673n
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 17089
-
-
Zhu, H.T.1
Luo, J.2
Yang, H.X.3
Liang, J.K.4
Rao, G.H.5
Li, J.B.6
Du, Z.M.7
-
47
-
-
84862776669
-
-
S. Curtarolo, W. Setyawan, G. L. Hart, M. Jahnatek, R. V. Chepulskii, R. H. Taylor, S. Wang, J. Xue, K. Yang, O. Levy, Comput. Mater. Sci. 58, 218 (2012). CMMSEM 0927-0256 10.1016/j.commatsci.2012.02.005
-
(2012)
Comput. Mater. Sci.
, vol.58
, pp. 218
-
-
Curtarolo, S.1
Setyawan, W.2
Hart, G.L.3
Jahnatek, M.4
Chepulskii, R.V.5
Taylor, R.H.6
Wang, S.7
Xue, J.8
Yang, K.9
Levy, O.10
-
48
-
-
80053599834
-
-
B. A. Pinaud, Z. Chen, D. N. Abram, and T. F. Jaramillo, J. Phys. Chem. C 115, 11830 (2011). 1932-7447 10.1021/jp200015p
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 11830
-
-
Pinaud, B.A.1
Chen, Z.2
Abram, D.N.3
Jaramillo, T.F.4
-
51
-
-
84970614489
-
-
A. Bolzan, C. Fong, B. Kennedy, and C. Howard, Austral. J. Chem. 46, 939 (1993). AJCHAS 0004-9425 10.1071/CH9930939
-
(1993)
Austral. J. Chem.
, vol.46
, pp. 939
-
-
Bolzan, A.1
Fong, C.2
Kennedy, B.3
Howard, C.4
-
52
-
-
0020751051
-
-
G. Bergerhoff, R. Hundt, R. Sievers, and I. Brown, J. Chem. Inform. Comput. Sci. 23, 66 (1983). 1549-9596 10.1021/ci00038a003
-
(1983)
J. Chem. Inform. Comput. Sci.
, vol.23
, pp. 66
-
-
Bergerhoff, G.1
Hundt, R.2
Sievers, R.3
Brown, I.4
-
53
-
-
0000089089
-
-
H. Sato, T. Enoki, M. Isobe, and Y. Ueda, Phys. Rev. B 61, 3563 (2000). PRBMDO 1098-0121 10.1103/PhysRevB.61.3563
-
(2000)
Phys. Rev. B
, vol.61
, pp. 3563
-
-
Sato, H.1
Enoki, T.2
Isobe, M.3
Ueda, Y.4
-
56
-
-
0000525561
-
-
A. Bystrom, Acta Chem. Scand. 3, 163 (1949). ACHSE7 0904-213X 10.3891/acta.chem.scand.03-0163
-
(1949)
Acta Chem. Scand.
, vol.3
, pp. 163
-
-
Bystrom, A.1
-
57
-
-
27644485444
-
-
H. Miura, H. Kudou, J. H. Choi, and Y. Hariya, J. Faculty Sci., Hokkaido Univ. Ser. 4 22, 611 (1990).
-
(1990)
J. Faculty Sci., Hokkaido Univ. Ser. 4
, vol.22
, pp. 611
-
-
Miura, H.1
Kudou, H.2
Choi, J.H.3
Hariya, Y.4
-
58
-
-
3943076419
-
-
J. Post and P. Heaney, Am. Mineral. 89, 969 (2004). AMMIAY 0003-004X 10.2138/am-2004-0706
-
(2004)
Am. Mineral.
, vol.89
, pp. 969
-
-
Post, J.1
Heaney, P.2
-
59
-
-
0026820919
-
-
M. Rossouw, D. Liles, M. Thackeray, W. David, and S. Hull, Mater. Res. Bull. 27, 221 (1992). MRBUAC 0025-5408 10.1016/0025-5408(92)90216-M
-
(1992)
Mater. Res. Bull.
, vol.27
, pp. 221
-
-
Rossouw, M.1
Liles, D.2
Thackeray, M.3
David, W.4
Hull, S.5
-
60
-
-
3142621282
-
-
R. Ma, Y. Bando, L. Zhang, and T. Sasaki, Adv. Mater. 16, 918 (2004). ADVMEW 0935-9648 10.1002/adma.200306592
-
(2004)
Adv. Mater.
, vol.16
, pp. 918
-
-
Ma, R.1
Bando, Y.2
Zhang, L.3
Sasaki, T.4
-
62
-
-
85000571442
-
-
arXiv:1511.01089
-
J. Sun, R. C. Remsing, Y. Zhang, Z. Sun, A. Ruzsinszky, H. Peng, Z. Yang, A. Paul, U. Waghmare, X. Wu, arXiv:1511.01089.
-
-
-
Sun, J.1
Remsing, R.C.2
Zhang, Y.3
Sun, Z.4
Ruzsinszky, A.5
Peng, H.6
Yang, Z.7
Paul, A.8
Waghmare, U.9
Wu, X.10
-
65
-
-
0035580631
-
-
H. Sato, K. Wakiya, T. Enoki, T. Kiyama, Y. Wakabayashi, H. Nakao, and Y. Murakami, J. Phys. Soc. Jpn. 70, 37 (2001). JUPSAU 0031-9015 10.1143/JPSJ.70.37
-
(2001)
J. Phys. Soc. Jpn.
, vol.70
, pp. 37
-
-
Sato, H.1
Wakiya, K.2
Enoki, T.3
Kiyama, T.4
Wakabayashi, Y.5
Nakao, H.6
Murakami, Y.7
-
66
-
-
0346880256
-
-
M. Regulski, R. Przeniosło, I. Sosnowska, and J.-U. Hoffmann, Phys. Rev. B 68, 172401 (2003). PRBMDO 1098-0121 10.1103/PhysRevB.68.172401
-
(2003)
Phys. Rev. B
, vol.68
, pp. 172401
-
-
Regulski, M.1
Przeniosło, R.2
Sosnowska, I.3
Hoffmann, J.-U.4
-
67
-
-
0038778481
-
-
D. Morgan, B. Wang, G. Ceder, and A. van de Walle, Phys. Rev. B 67, 134404 (2003). PRBMDO 1098-0121 10.1103/PhysRevB.67.134404
-
(2003)
Phys. Rev. B
, vol.67
, pp. 134404
-
-
Morgan, D.1
Wang, B.2
Ceder, G.3
Van De Walle, A.4
-
69
-
-
65649139613
-
-
G. I. Csonka, J. P. Perdew, A. Ruzsinszky, P. H. T. Philipsen, S. Lebègue, J. Paier, O. A. Vydrov, and J. G. Ángyán, Phys. Rev. B 79, 155107 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.79.155107
-
(2009)
Phys. Rev. B
, vol.79
, pp. 155107
-
-
Csonka, G.I.1
Perdew, J.P.2
Ruzsinszky, A.3
Philipsen, P.H.T.4
Lebègue, S.5
Paier, J.6
Vydrov, O.A.7
Ángyán, J.G.8
|