-
1
-
-
8344222698
-
-
1477-9226 10.1039/b408864f
-
P. P. Edwards, A. Porch, M. O. Jones, D. V. Morgan, and R. M. Perks, Dalton Trans. 1477-9226 10.1039/b408864f 15, 2995 (2004).
-
(2004)
Dalton Trans.
, vol.15
, pp. 2995
-
-
Edwards, P.P.1
Porch, A.2
Jones, M.O.3
Morgan, D.V.4
Perks, R.M.5
-
2
-
-
80051941622
-
-
JCOMEL 0953-8984 10.1088/0953-8984/23/33/334214
-
P. D. C. King and T. D. Veal, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/23/33/334214 23, 334214 (2011).
-
(2011)
J. Phys.: Condens. Matter
, vol.23
, pp. 334214
-
-
King, P.D.C.1
Veal, T.D.2
-
3
-
-
35949015935
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.30.3240
-
I. Hamberg, C. G. Granqvist, K. F. Berggren, B. E. Sernelius, and L. Engstrom, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.30.3240 30, 3240 (1984).
-
(1984)
Phys. Rev. B
, vol.30
, pp. 3240
-
-
Hamberg, I.1
Granqvist, C.G.2
Berggren, K.F.3
Sernelius, B.E.4
Engstrom, L.5
-
4
-
-
37849014079
-
-
JACTAW 0002-7820 10.1111/j.1551-2916.2007.02031.x
-
Y. Ohya, T. Yamamoto, and T. Ban, J. Am. Ceram. Soc. JACTAW 0002-7820 10.1111/j.1551-2916.2007.02031.x 91, 240 (2007).
-
(2007)
J. Am. Ceram. Soc.
, vol.91
, pp. 240
-
-
Ohya, Y.1
Yamamoto, T.2
Ban, T.3
-
5
-
-
0347904322
-
-
JSSCBI 0022-4596 10.1016/0022-4596(77)90061-5
-
J. H. W. DeWit, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(77)90061-5 20, 143 (1977).
-
(1977)
J. Solid State Chem.
, vol.20
, pp. 143
-
-
Dewit, J.H.W.1
-
6
-
-
33751517073
-
-
JAPIAU 0021-8979 10.1063/1.1702560
-
R. L. Weiher, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1702560 33, 2834 (1962).
-
(1962)
J. Appl. Phys.
, vol.33
, pp. 2834
-
-
Weiher, R.L.1
-
7
-
-
33846519391
-
Dopability, intrinsic conductivity, and nonstoichiometry of transparent conducting oxides
-
DOI 10.1103/PhysRevLett.98.045501
-
S. Lany and A. Zunger, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98.045501 98, 045501 (2007). (Pubitemid 46155740)
-
(2007)
Physical Review Letters
, vol.98
, Issue.4
, pp. 045501
-
-
Lany, S.1
Zunger, A.2
-
8
-
-
33645504061
-
-
APPLAB 0003-6951 10.1063/1.2001741
-
T. Tomita, K. Yamashita, Y. Hayafuji, and H. Adachi, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2001741 87, 051911 (2005).
-
(2005)
Appl. Phys. Lett.
, vol.87
, pp. 051911
-
-
Tomita, T.1
Yamashita, K.2
Hayafuji, Y.3
Adachi, H.4
-
9
-
-
72049132652
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.103.245501
-
P. Ágoston, K. Albe, R. M. Nieminen, and M. J. Puska, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.245501 103, 245501 (2009).
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 245501
-
-
Ágoston, P.1
Albe, K.2
Nieminen, R.M.3
Puska, M.J.4
-
10
-
-
50949132930
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.78.075211
-
A. Walsh, J. L. F. Da Silva, and S.-H. Wei, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.075211 78, 075211 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 075211
-
-
Walsh, A.1
Da Silva, J.L.F.2
Wei, S.-H.3
-
11
-
-
72749083696
-
-
JCOMEL 0953-8984 10.1088/0953-8984/21/45/455801
-
P. Ágoston, P. Erhart, A. Klein, and K. Albe, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/45/455801 21, 455801 (2009).
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 455801
-
-
Ágoston, P.1
Erhart, P.2
Klein, A.3
Albe, K.4
-
12
-
-
77955156658
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.125116
-
J. E. Medvedeva and C. L. Hettiarachchi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.125116 81, 125116 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 125116
-
-
Medvedeva, J.E.1
Hettiarachchi, C.L.2
-
13
-
-
79960079188
-
-
APPLAB 0003-6951 10.1063/1.3604811
-
A. Walsh, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3604811 98, 261910 (2011).
-
(2011)
Appl. Phys. Lett.
, vol.98
, pp. 261910
-
-
Walsh, A.1
-
14
-
-
79961102715
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.161202
-
A. Walsh, C. R. A. Catlow, K. H. L. Zhang, and R. G. Egdell, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.161202 83, 161202 (2011).
-
(2011)
Phys. Rev. B
, vol.83
, pp. 161202
-
-
Walsh, A.1
Catlow, C.R.A.2
Zhang, K.H.L.3
Egdell, R.G.4
-
15
-
-
28544439855
-
-
APAMFC 0947-8396 10.1007/s00339-005-3329-7
-
F. Rüggeberg and A. Klein, Appl. Phys. A APAMFC 0947-8396 10.1007/s00339-005-3329-7 82, 281 (2005).
-
(2005)
Appl. Phys. A
, vol.82
, pp. 281
-
-
Rüggeberg, F.1
Klein, A.2
-
16
-
-
84883141002
-
-
1476-1122 10.1038/nmat3697
-
D. O. Scanlon, C. W. Dunnill, J. Buckeridge, S. A. Shevlin, A. J. Logsdail, S. M. Woodley, C. R. A. Catlow, M. J. Powell, R. G. Palgrave, I. P. Parkin, Nat. Mater. 1476-1122 10.1038/nmat3697 12, 798 (2013).
-
(2013)
Nat. Mater.
, vol.12
, pp. 798
-
-
Scanlon, D.O.1
Dunnill, C.W.2
Buckeridge, J.3
Shevlin, S.A.4
Logsdail, A.J.5
Woodley, S.M.6
Catlow, C.R.A.7
Powell, M.J.8
Palgrave, R.G.9
Parkin, I.P.10
-
17
-
-
33846006566
-
Multiferroics: Progress and prospects in thin films
-
DOI 10.1038/nmat1805, PII NMAT1805
-
R. Ramesh and N. A. Spaldin, Nat. Mater. 1476-1122 10.1038/nmat1805 6, 21 (2007). (Pubitemid 46043269)
-
(2007)
Nature Materials
, vol.6
, Issue.1
, pp. 21-29
-
-
Ramesh, R.1
Spaldin, N.A.2
-
19
-
-
77954988489
-
-
PTRMAD 1364-503X 10.1098/rsta.2010.0111
-
C. R. A. Catlow, Z. X. Guo, M. Miskufova, S. A. Shevlin, A. G. H. Smith, A. A. Sokol, A. Walsh, D. J. Wilson, and S. M. Woodley, Philos. Trans. R. Soc. London, Ser. A PTRMAD 1364-503X 10.1098/rsta.2010.0111 368, 3379 (2010).
-
(2010)
Philos. Trans. R. Soc. London, Ser. A
, vol.368
, pp. 3379
-
-
Catlow, C.R.A.1
Guo, Z.X.2
Miskufova, M.3
Shevlin, S.A.4
Smith, A.G.H.5
Sokol, A.A.6
Walsh, A.7
Wilson, D.J.8
Woodley, S.M.9
-
20
-
-
34548410533
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.76.075129
-
S. Z. Karazhanov, P. Ravindran, P. Vajeeston, A. Ulyashin, T. G. Finstad, and H. Fjellvag, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.075129 76, 075129 (2007).
-
(2007)
Phys. Rev. B
, vol.76
, pp. 075129
-
-
Karazhanov, S.Z.1
Ravindran, P.2
Vajeeston, P.3
Ulyashin, A.4
Finstad, T.G.5
Fjellvag, H.6
-
21
-
-
67649427631
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.205211
-
P. D. C. King, T. D. Veal, F. Fuchs, C. Y. Wang, D. J. Payne, A. Bourlange, H. Zhang, G. R. Bell, V. Cimalla, O. Ambacher, R. G. Egdell, F. Bechstedt, and C. F. McConville, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.205211 79, 205211 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 205211
-
-
King, P.D.C.1
Veal, T.D.2
Fuchs, F.3
Wang, C.Y.4
Payne, D.J.5
Bourlange, A.6
Zhang, H.7
Bell, G.R.8
Cimalla, V.9
Ambacher, O.10
Egdell, R.G.11
Bechstedt, F.12
McConville, C.F.13
-
22
-
-
70350281577
-
-
CMATEX 0897-4756 10.1021/cm902280z
-
A. Walsh, C. R. A. Catlow, A. A. Sokol, and S. M. Woodley, Chem. Mater. CMATEX 0897-4756 10.1021/cm902280z 21, 4962 (2009).
-
(2009)
Chem. Mater.
, vol.21
, pp. 4962
-
-
Walsh, A.1
Catlow, C.R.A.2
Sokol, A.A.3
Woodley, S.M.4
-
23
-
-
84878048240
-
-
1433-7851 10.1002/anie.201300644
-
M. F. Bekheet, M. R. Schwarz, S. Lauterbach, H.-J. Kleebe, P. Kroll, R. Riedel, and A. Gurlo, Angew. Chem. 1433-7851 10.1002/anie.201300644 52, 6531 (2013).
-
(2013)
Angew. Chem.
, vol.52
, pp. 6531
-
-
Bekheet, M.F.1
Schwarz, M.R.2
Lauterbach, S.3
Kleebe, H.-J.4
Kroll, P.5
Riedel, R.6
Gurlo, A.7
-
24
-
-
79952311375
-
-
CMATEX 0897-4756 10.1016/j.ssi.2010.08.010
-
A. Walsh, S. M. Woodley, C. R. A. Catlow, and A. A. Sokol, Solid State Ionics CMATEX 0897-4756 10.1016/j.ssi.2010.08.010 184, 52 (2011).
-
(2011)
Solid State Ionics
, vol.184
, pp. 52
-
-
Walsh, A.1
Woodley, S.M.2
Catlow, C.R.A.3
Sokol, A.A.4
-
25
-
-
0242341371
-
The General Utility Lattice Program (GULP)
-
DOI 10.1080/0892702031000104887, PII 305K4CVNJHLN38CB
-
J. D. Gale and A. L. Rohl, Mol. Simul. MOSIEA 0892-7022 10.1080/0892702031000104887 29, 291 (2003). (Pubitemid 44115103)
-
(2003)
Molecular Simulation
, vol.29
, Issue.5
, pp. 291-341
-
-
Gale, J.D.1
Rohl, A.L.2
-
26
-
-
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
-
27
-
-
0030190741
-
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
-
DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
-
G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996). (Pubitemid 126412269)
-
(1996)
Computational Materials Science
, vol.6
, Issue.1
, pp. 15-50
-
-
Kresse, G.1
Furthmuller, J.2
-
28
-
-
0011236321
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
-
G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
31
-
-
27644519159
-
Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
-
DOI 10.1063/1.2085170, 174101
-
J. Heyd, J. E. Peralta, G. E. Scuseria, and R. L. Martin, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2085170 123, 174101 (2005). (Pubitemid 41567389)
-
(2005)
Journal of Chemical Physics
, vol.123
, Issue.17
, pp. 1-8
-
-
Heyd, J.1
Peralta, J.E.2
Scuseria, G.E.3
Martin, R.L.4
-
32
-
-
83655191462
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.107.246402
-
D. O. Scanlon, A. B. Kehoe, G. W. Watson, M. O. Jones, W. I. F. David, D. J. Payne, R. G. Edgell, P. P. Edwards, and A. Walsh, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.246402 107, 246402 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 246402
-
-
Scanlon, D.O.1
Kehoe, A.B.2
Watson, G.W.3
Jones, M.O.4
David, W.I.F.5
Payne, D.J.6
Edgell, R.G.7
Edwards, P.P.8
Walsh, A.9
-
33
-
-
33846361964
-
-
PNASA6 0027-8424 10.1073/pnas.30.9.244
-
F. D. Murnaghan, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 10.1073/pnas.30.9.244 30, 244 (1944).
-
(1944)
Proc. Natl. Acad. Sci. U.S.A.
, vol.30
, pp. 244
-
-
Murnaghan, F.D.1
-
38
-
-
42549142122
-
Nature of the band gap of In2O3 revealed by first-principles calculations and X-ray spectroscopy
-
DOI 10.1103/PhysRevLett.100.167402
-
A. Walsh, J. L. F. Da Silva, S.-H. Wei, C. Körber, A. Klein, L. F. J. Piper, A. DeMasi, K. E. Smith, G. Panaccione, P. Torelli, D. J. Payne, A. Bourlange, and R. G. Egdell, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.167402 100, 167402 (2008). (Pubitemid 351590576)
-
(2008)
Physical Review Letters
, vol.100
, Issue.16
, pp. 167402
-
-
Walsh, A.1
Da Silva, J.L.F.2
Wei, S.-H.3
Korber, C.4
Klein, A.5
Piper, L.F.J.6
Demasi, A.7
Smith, K.E.8
Panaccione, G.9
Torelli, P.10
Payne, D.J.11
Bourlange, A.12
Egdell, R.G.13
-
39
-
-
41749087573
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.77.155107
-
F. Fuchs and F. Bechstedt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.155107 77, 155107 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 155107
-
-
Fuchs, F.1
Bechstedt, F.2
-
41
-
-
70349445070
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.80.081201
-
P. D. C. King, R. L. Lichti, Y. G. Celebi, J. M. Gil, R. C. Vilão, H. V. Alberto, J. Piroto Duarte, D. J. Payne, R. G. Egdell, I. McKenzie, C. F. McConville, S. F. J. Cox, and T. D. Veal, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.081201 80, 081201 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 081201
-
-
King, P.D.C.1
Lichti, R.L.2
Celebi, Y.G.3
Gil, J.M.4
Vilão, R.C.5
Alberto, H.V.6
Piroto Duarte, J.7
Payne, D.J.8
Egdell, R.G.9
McKenzie, I.10
McConville, C.F.11
Cox, S.F.J.12
Veal, T.D.13
-
42
-
-
77954745378
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.80.193202
-
S. Limpijumnong, P. Reunchan, A. Janotti, and C. G. Van de Walle, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.193202 80, 193202 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 193202
-
-
Limpijumnong, S.1
Reunchan, P.2
Janotti, A.3
Van De Walle, C.G.4
-
43
-
-
79951527727
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.106.069601
-
S. Lany and A. Zunger, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.069601 106, 069601 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 069601
-
-
Lany, S.1
Zunger, A.2
-
44
-
-
79951533997
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.106.069602
-
P. Ágoston, K. Albe, R. M. Nieminen, and M. J. Puska, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.069602 106, 069602 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 069602
-
-
Ágoston, P.1
Albe, K.2
Nieminen, R.M.3
Puska, M.J.4
-
45
-
-
84863332277
-
-
APPLAB 0003-6951 10.1063/1.4730375
-
D. O. Scanlon and A. Walsh, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.4730375 100, 251911 (2012).
-
(2012)
Appl. Phys. Lett.
, vol.100
, pp. 251911
-
-
Scanlon, D.O.1
Walsh, A.2
-
46
-
-
84885014866
-
-
APPLAB 0003-6951 10.1063/1.4816438
-
N. Feldberg, J. D. Aldous, W. M. Linhart, L. J. Philips, K. Durose, P. A. Stampe, R. J. Kennedy, D. O. Scanlon, G. Vardar, R. L. Field, III, T. Y. Jen, R. S. Goldman, T. D. Veal, and S. M. Durbin, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.4816438 103, 042109 (2013).
-
(2013)
Appl. Phys. Lett.
, vol.103
, pp. 042109
-
-
Feldberg, N.1
Aldous, J.D.2
Linhart, W.M.3
Philips, L.J.4
Durose, K.5
Stampe, P.A.6
Kennedy, R.J.7
Scanlon, D.O.8
Vardar, G.9
Field III, R.L.10
Jen, T.Y.11
Goldman, R.S.12
Veal, T.D.13
Durbin, S.M.14
-
47
-
-
80053413939
-
-
2041-1723 10.1038/ncomms1484
-
H. Mizoguchi, T. Kamiya, S. Matsuishi, and H. Hosono, Nat. Commun. 2041-1723 10.1038/ncomms1484 2, 470 (2011).
-
(2011)
Nat. Commun.
, vol.2
, pp. 470
-
-
Mizoguchi, H.1
Kamiya, T.2
Matsuishi, S.3
Hosono, H.4
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