-
2
-
-
84856102117
-
-
1476-1122 10.1038/nmat3223
-
H. Y. Hwang, Y. Iwasa, M. Kawasaki, B. Keimer, N. Nagaosa, and Y. Tokura, Nat. Mater. 1476-1122 10.1038/nmat3223 11, 103 (2012).
-
(2012)
Nat. Mater.
, vol.11
, pp. 103
-
-
Hwang, H.Y.1
Iwasa, Y.2
Kawasaki, M.3
Keimer, B.4
Nagaosa, N.5
Tokura, Y.6
-
3
-
-
77952962079
-
-
JCOMEL 0953-8984 10.1088/0953-8984/22/4/043001
-
R. Pentcheva and W. E. Pickett, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/22/4/043001 22, 043001 (2010).
-
(2010)
J. Phys.: Condens. Matter
, vol.22
, pp. 043001
-
-
Pentcheva, R.1
Pickett, W.E.2
-
4
-
-
84879086103
-
-
1947-5454 10.1146/annurev-conmatphys-062910-140445
-
P. Zubko, S. Gariglio, M. Gabay, P. Ghosez, and J.-M. Triscone, Annu. Rev. Condens. Matter Phys. 1947-5454 10.1146/annurev-conmatphys-062910-140445 2, 141 (2011).
-
(2011)
Annu. Rev. Condens. Matter Phys.
, vol.2
, pp. 141
-
-
Zubko, P.1
Gariglio, S.2
Gabay, M.3
Ghosez, P.4
Triscone, J.-M.5
-
5
-
-
33747296859
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.78.865
-
G. Kotliar, S. Y. Savrasov, K. Haule, V. S. Oudovenko, O. Parcollet, and C. A. Marianetti, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.78.865 78, 865 (2006).
-
(2006)
Rev. Mod. Phys.
, vol.78
, pp. 865
-
-
Kotliar, G.1
Savrasov, S.Y.2
Haule, K.3
Oudovenko, V.S.4
Parcollet, O.5
Marianetti, C.A.6
-
6
-
-
33748583468
-
Realistic investigations of correlated electron systems with LDA + DMFT
-
DOI 10.1002/pssb.200642053
-
K. Held, I. A. Nekrasov, G. Keller, V. Eyert, N. Blümer, A. K. McMahan, R. T. Scalettar, T. Pruschke, V. I. Anisimov, and D. Vollhardt, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.200642053 243, 2599 (2006). (Pubitemid 44375838)
-
(2006)
Physica Status Solidi (B) Basic Research
, vol.243
, Issue.11
, pp. 2599-2631
-
-
Held, K.1
Nekrasov, I.A.2
Keller, G.3
Eyert, V.4
Blumer, N.5
McMahan, A.K.6
Scalettar, R.T.7
Pruschke, Th.8
Anisimov, V.I.9
Vollhardt, D.10
-
7
-
-
84255214267
-
-
ANPYA2 0003-3804 10.1002/andp.201100250
-
D. Vollhardt, Ann. Phys. ANPYA2 0003-3804 10.1002/andp.201100250 524, 1 (2012).
-
(2012)
Ann. Phys.
, vol.524
, pp. 1
-
-
Vollhardt, D.1
-
8
-
-
0036057017
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.74.601
-
G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.74.601 74, 601 (2002).
-
(2002)
Rev. Mod. Phys.
, vol.74
, pp. 601
-
-
Onida, G.1
Reining, L.2
Rubio, A.3
-
9
-
-
80455129187
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.165116
-
G. Trimarchi, H. Peng, J. Im, A. J. Freeman, V. Cloet, A. Raw, K. R. Poeppelmeier, K. Biswas, S. Lany, and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.165116 84, 165116 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 165116
-
-
Trimarchi, G.1
Peng, H.2
Im, J.3
Freeman, A.J.4
Cloet, V.5
Raw, A.6
Poeppelmeier, K.R.7
Biswas, K.8
Lany, S.9
Zunger, A.10
-
10
-
-
0033523962
-
The inverse band-structure problem of finding an atomic configuration with given electronic properties
-
DOI 10.1038/46995
-
A. Franceschetti and A. Zunger, Nature (London) NATUAS 0028-0836 10.1038/46995 402, 60 (1999). (Pubitemid 29533512)
-
(1999)
Nature
, vol.402
, Issue.6757
, pp. 60-63
-
-
Franceschetti, A.1
Zunger, A.2
-
11
-
-
77957558623
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.113402
-
J. M. Rondinelli and N. A. Spaldin, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.113402 82, 113402 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 113402
-
-
Rondinelli, J.M.1
Spaldin, N.A.2
-
13
-
-
74549179202
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.104.036401
-
S. S. A. Seo, M. J. Han, G. W. J. Hassink, W. S. Choi, S. J. Moon, J. S. Kim, T. Susaki, Y. S. Lee, J. Yu, C. Bernhard, H. Y. Hwang, G. Rijnders, D. H. A. Blank, B. Keimer, and T. W. Noh, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.104.036401 104, 036401 (2010).
-
(2010)
Phys. Rev. Lett.
, vol.104
, pp. 036401
-
-
Seo, S.S.A.1
Han, M.J.2
Hassink, G.W.J.3
Choi, W.S.4
Moon, S.J.5
Kim, J.S.6
Susaki, T.7
Lee, Y.S.8
Yu, J.9
Bernhard, C.10
Hwang, H.Y.11
Rijnders, G.12
Blank, D.H.A.13
Keimer, B.14
Noh, T.W.15
-
15
-
-
79953740890
-
-
APPLAB 0003-6951 10.1063/1.3571447
-
B. Jalan, S. J. Allen, G. E. Beltz, P. Moetakef, and S. Stemmer, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3571447 98, 132102 (2011).
-
(2011)
Appl. Phys. Lett.
, vol.98
, pp. 132102
-
-
Jalan, B.1
Allen, S.J.2
Beltz, G.E.3
Moetakef, P.4
Stemmer, S.5
-
17
-
-
80053585771
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.115122
-
F. El-Mellouhi, E. N. Brothers, M. J. Lucero, and G. E. Scuseria, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.115122 84, 115122 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 115122
-
-
El-Mellouhi, F.1
Brothers, E.N.2
Lucero, M.J.3
Scuseria, G.E.4
-
18
-
-
33645898818
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.45.13244
-
J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.45.13244 45, 13244 (1992).
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13244
-
-
Perdew, J.P.1
Wang, Y.2
-
21
-
-
0347319419
-
-
JCPSA6 0021-9606 10.1063/1.1626543
-
V. N. Staroverov, G. E. Scuseria, J. Tao, and J. P. Perdew, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1626543 119, 12129 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 12129
-
-
Staroverov, V.N.1
Scuseria, G.E.2
Tao, J.3
Perdew, J.P.4
-
22
-
-
11144298784
-
Erratum: Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes(Journal of Chemical Physics (2003) 119 (12129))
-
DOI 10.1063/1.1795692, 1
-
V. N. Staroverov, G. E. Scuseria, J. Tao, and J. P. Perdew, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1795692 121, 11507 (2004). (Pubitemid 40020691)
-
(2004)
Journal of Chemical Physics
, vol.121
, Issue.22
, pp. 11507
-
-
Staroverov, V.N.1
Scuseria, G.E.2
Tao, J.3
Perdew, J.P.4
-
23
-
-
68949102373
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.245129
-
P. Rivero, I. P. R. Moreira, G. E. Scuseria, and F. Illas, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.245129 79, 245129 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 245129
-
-
Rivero, P.1
Moreira, I.P.R.2
Scuseria, G.E.3
Illas, F.4
-
24
-
-
67650000154
-
-
SSCOA4 0038-1098 10.1016/j.ssc.2009.05.023
-
Y. F. Zhukovskii, E. A. Kotomin, S. Piskunov, and D. E. Ellis, Solid State Commun. SSCOA4 0038-1098 10.1016/j.ssc.2009.05.023 149, 1359 (2009).
-
(2009)
Solid State Commun.
, vol.149
, pp. 1359
-
-
Zhukovskii, Y.F.1
Kotomin, E.A.2
Piskunov, S.3
Ellis, D.E.4
-
25
-
-
33646753814
-
3 perovskite: Hybrid density functional study
-
DOI 10.1088/0953-8984/18/20/009, PII S095389840610079X
-
E. Heifets, E. Kotomin, and V. A. Trepakov, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/18/20/009 18, 4845 (2006). (Pubitemid 43745728)
-
(2006)
Journal of Physics Condensed Matter
, vol.18
, Issue.20
, pp. 4845-4851
-
-
Heifets, E.1
Kotomin, E.2
Trepakov, V.A.3
-
26
-
-
0346093929
-
-
CMMSEM 0927-0256 10.1016/j.commatsci.2003.08.036
-
S. Piskunov, E. Heifets, R. I. Eglitis, and G. Borstel, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/j.commatsci.2003.08.036 29, 165 (2004).
-
(2004)
Comput. Mater. Sci.
, vol.29
, pp. 165
-
-
Piskunov, S.1
Heifets, E.2
Eglitis, R.I.3
Borstel, G.4
-
27
-
-
42049093445
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.77.165107
-
D. I. Bilc, R. Orlando, R. Shaltaf, G. M. Rignanese, J. Íñiguez, and P. Ghosez, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.165107 77, 165107 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 165107
-
-
Bilc, D.I.1
Orlando, R.2
Shaltaf, R.3
Rignanese, G.M.4
Íñiguez, J.5
Ghosez, P.6
-
28
-
-
33751071869
-
-
H.-S. Ahn, D. D. Cuong, J. Lee, and S. Han, J. Korean Phys. Soc. 49, 1536 (2006).
-
(2006)
J. Korean Phys. Soc.
, vol.49
, pp. 1536
-
-
Ahn, H.-S.1
Cuong, D.D.2
Lee, J.3
Han, S.4
-
29
-
-
57749097352
-
-
CHPLBC 0009-2614 10.1016/j.cplett.2008.11.054
-
U. Schwingenschlögl and C. Schuster, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2008.11.054 467, 354 (2009).
-
(2009)
Chem. Phys. Lett.
, vol.467
, pp. 354
-
-
Schwingenschlögl, U.1
Schuster, C.2
-
30
-
-
33747354725
-
3(0 0 1) multilayers: A density-functional investigation
-
DOI 10.1016/j.actamat.2006.05.023, PII S1359645406003612
-
S. Gemming and G. Seifert, Acta Mater. ACMAFD 1359-6454 10.1016/j.actamat.2006.05.023 54, 4299 (2006). (Pubitemid 44247823)
-
(2006)
Acta Materialia
, vol.54
, Issue.16
, pp. 4299-4306
-
-
Gemming, S.1
Seifert, G.2
-
31
-
-
77956315709
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.245117
-
V. Pardo and W. E. Pickett, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.245117 81, 245117 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 245117
-
-
Pardo, V.1
Pickett, W.E.2
-
32
-
-
57149133559
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.78.193104
-
J. Lee and A. A. Demkov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.193104 78, 193104 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 193104
-
-
Lee, J.1
Demkov, A.A.2
-
33
-
-
79961116576
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.193106
-
P. V. Ong, J. Lee, and W. E. Pickett, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.193106 83, 193106 (2011).
-
(2011)
Phys. Rev. B
, vol.83
, pp. 193106
-
-
Ong, P.V.1
Lee, J.2
Pickett, W.E.3
-
34
-
-
0000189651
-
-
JCPSA6 0021-9606 10.1063/1.464913
-
A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464913 98, 5648 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
35
-
-
33751157732
-
-
JPCHAX 0022-3654 10.1021/j100096a001
-
P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100096a001 98, 11623 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
36
-
-
0345491105
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.37.785
-
C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.37.785 37, 785 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
37
-
-
42049093445
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.77.165107
-
D. I. Bilc, R. Orlando, R. Shaltaf, G. M. Rignanese, J. Íñiguez, and P. Ghosez, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.165107 77, 165107 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 165107
-
-
Bilc, D.I.1
Orlando, R.2
Shaltaf, R.3
Rignanese, G.M.4
Íñiguez, J.5
Ghosez, P.6
-
38
-
-
43449135620
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.77.195408
-
R. I. Eglitis and D. Vanderbilt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.195408 77, 195408 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 195408
-
-
Eglitis, R.I.1
Vanderbilt, D.2
-
39
-
-
34547139312
-
Erratum: Hybrid functionals based on a screened Coulomb potential (Journal of Chemical Physics (2003) 118 (8207))
-
DOI 10.1063/1.2204597
-
J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2204597 124, 219906 (2006). (Pubitemid 43877849)
-
(2006)
Journal of Chemical Physics
, vol.124
, Issue.21
, pp. 219906
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
40
-
-
52949139924
-
-
1549-9618 10.1021/ct800149y
-
T. M. Henderson, A. F. Izmaylov, G. E. Scuseria, and A. Savin, J. Theor. Comput. Chem. 1549-9618 10.1021/ct800149y 4, 1254 (2008).
-
(2008)
J. Theor. Comput. Chem.
, vol.4
, pp. 1254
-
-
Henderson, T.M.1
Izmaylov, A.F.2
Scuseria, G.E.3
Savin, A.4
-
45
-
-
53849145025
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.78.104116
-
R. Wahl, D. Vogtenhuber, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.104116 78, 104116 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 104116
-
-
Wahl, R.1
Vogtenhuber, D.2
Kresse, G.3
-
46
-
-
77957701733
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.82.121103
-
Y. Yamada and Y. Kanemitsu, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.121103 82, 121103 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 121103
-
-
Yamada, Y.1
Kanemitsu, Y.2
-
47
-
-
34547139150
-
-
JCPSA6 0021-9606 10.1063/1.2187006
-
J. Paier, M. Marsman, G. Kresse, I. C. Gerber, and J. G. Ángyán, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2187006 124, 154709 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 154709
-
-
Paier, J.1
Marsman, M.2
Kresse, G.3
Gerber, I.C.4
Ángyán, J.G.5
-
48
-
-
43049085214
-
Hybrid functionals applied to extended systems
-
DOI 10.1088/0953-8984/20/6/064201, PII S0953898408638928
-
M. Marsman, J. Paier, A. Stroppa, and G. Kresse, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/20/6/064201 20, 064201 (2008). (Pubitemid 351622636)
-
(2008)
Journal of Physics Condensed Matter
, vol.20
, Issue.6
, pp. 064201
-
-
Marsman, M.1
Paier, J.2
Stroppa, A.3
Kresse, G.4
-
50
-
-
33845753887
-
Assessment of a long-range corrected hybrid functional
-
DOI 10.1063/1.2409292
-
O. A. Vydrov and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2409292 125, 234109 (2006). (Pubitemid 46013638)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.23
, pp. 234109
-
-
Vydrov, O.A.1
Scuseria, G.E.2
-
51
-
-
79551630274
-
-
JCPSA6 0021-9606 10.1063/1.3531696
-
J. J. Phillips and J. E. Peralta, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3531696 134, 034108 (2011).
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 034108
-
-
Phillips, J.J.1
Peralta, J.E.2
-
52
-
-
33846625922
-
-
Gaussian, Inc., Wallingford, CT).
-
M. J. Frisch, gaussian development version, revision h.07 + (Gaussian, Inc., Wallingford, CT).
-
Gaussian Development Version, Revision h.07+
-
-
Frisch, M.J.1
-
53
-
-
0000154314
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.61.16440
-
K. N. Kudin and G. E. Scuseria, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.61.16440 61, 16440 (2000).
-
(2000)
Phys. Rev. B
, vol.61
, pp. 16440
-
-
Kudin, K.N.1
Scuseria, G.E.2
-
54
-
-
84872246463
-
-
Inorganic Crystallographic Structural Database
-
ICSD, Inorganic Crystallographic Structural Database, http://www.fiz-karlsruhe.de/icsd-web.html (2010); specifically, the ICSD collection ID numbers are STO cubic 94573, AFD 56718; LAO rhomb 92554, cubic 92561; LTO 8146, 98414, 98416, and 63573.
-
(2010)
-
-
-
55
-
-
26244461462
-
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
-
DOI 10.1039/b508541a
-
F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b508541a 7, 3297 (2005). (Pubitemid 41412231)
-
(2005)
Physical Chemistry Chemical Physics
, vol.7
, Issue.18
, pp. 3297-3305
-
-
Weigend, F.1
Ahlrichs, R.2
-
57
-
-
84872237217
-
-
CCDC 900592-900596 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from the Cambridge Crystallographic Data Centre via
-
CCDC 900592-900596 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from the Cambridge Crystallographic Data Centre via http://www.ccdc.cam.ac.uk/data-request/cif.
-
-
-
-
58
-
-
30244462269
-
-
JUPSAU 0031-9015 10.1143/JPSJ.23.546
-
H. Unoki and T. Sakudo, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.23.546 23, 546 (1967).
-
(1967)
J. Phys. Soc. Jpn.
, vol.23
, pp. 546
-
-
Unoki, H.1
Sakudo, T.2
-
59
-
-
0011714205
-
-
ZEPYAA 0044-3328 10.1007/BF01391506
-
A. Heidemann and H. Wettengel, Z. Phys. ZEPYAA 0044-3328 10.1007/BF01391506 258, 429 (1973).
-
(1973)
Z. Phys.
, vol.258
, pp. 429
-
-
Heidemann, A.1
Wettengel, H.2
-
61
-
-
77956300009
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.235109
-
Y. J. Chang, A. Bostwick, Y. S. Kim, K. Horn, and E. Rotenberg, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.235109 81, 235109 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 235109
-
-
Chang, Y.J.1
Bostwick, A.2
Kim, Y.S.3
Horn, K.4
Rotenberg, E.5
-
62
-
-
84957325803
-
-
H. Uwe, R. Yoshizaki, T. Sakudo, A. Izumi, and T. Uzumaki, Jpn. J. Appl. Phys., Part 1 24, 335 (1985).
-
(1985)
Jpn. J. Appl. Phys., Part 1
, vol.24
, pp. 335
-
-
Uwe, H.1
Yoshizaki, R.2
Sakudo, T.3
Izumi, A.4
Uzumaki, T.5
-
63
-
-
4243776394
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.6.4740
-
L. F. Mattheiss, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.6.4740 6, 4740 (1972).
-
(1972)
Phys. Rev. B
, vol.6
, pp. 4740
-
-
Mattheiss, L.F.1
-
64
-
-
80053327873
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.107.146802
-
Z. Q. Liu, D. P. Leusink, X. Wang, W. M. Lü, K. Gopinadhan, A. Annadi, Y. L. Zhao, X. H. Huang, S. W. Zeng, Z. Huang, A. Srivastava, S. Dhar, T. Venkatesan, and Ariando, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.146802 107, 146802 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 146802
-
-
Liu, Z.Q.1
Leusink, D.P.2
Wang, X.3
Lü, W.M.4
Gopinadhan, K.5
Annadi, A.6
Zhao, Y.L.7
Huang, X.H.8
Zeng, S.W.9
Huang, Z.10
Srivastava, A.11
Dhar, S.12
Venkatesan, T.13
Ariando14
-
66
-
-
33644937901
-
Transformation processes in LaAl O3: Neutron diffraction, dielectric, thermal, optical, and Raman studies
-
DOI 10.1103/PhysRevB.72.054110
-
S. A. Hayward, F. D. Morrison, S. A. T. Redfern, E. K. H. Salje, J. F. Scott, K. S. Knight, S. Tarantino, A. M. Glazer, V. Shuvaeva, P. Daniel, M. Zhang, and M. A. Carpenter, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.72. 054110 72, 054110 (2005). (Pubitemid 43406309)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.72
, Issue.5
, pp. 054110
-
-
Hayward, S.A.1
Morrison, F.D.2
Redfern, S.A.T.3
Salje, E.K.H.4
Scott, J.F.5
Knight, K.S.6
Tarantino, S.7
Glazer, A.M.8
Shuvaeva, V.9
Daniel, P.10
Zhang, M.11
Carpenter, M.A.12
-
67
-
-
0033778645
-
-
ZEKRDZ 0044-2968 10.1524/zkri.2000.215.9.536
-
H. Lehnert, H. Boysen, J. Schneider, F. Frey, D. Hohlwein, P. Radaelli, and H. Ehrenberg, Z. Kristallogr. ZEKRDZ 0044-2968 10.1524/zkri.2000.215.9.536 215, 536 (2000).
-
(2000)
Z. Kristallogr.
, vol.215
, pp. 536
-
-
Lehnert, H.1
Boysen, H.2
Schneider, J.3
Frey, F.4
Hohlwein, D.5
Radaelli, P.6
Ehrenberg, H.7
-
68
-
-
41949121296
-
Localization and delocalization errors in density functional theory and implications for band-gap prediction
-
DOI 10.1103/PhysRevLett.100.146401
-
P. Mori-Sánchez, A. J. Cohen, and W. Yang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.146401 100, 146401 (2008). (Pubitemid 351514277)
-
(2008)
Physical Review Letters
, vol.100
, Issue.14
, pp. 146401
-
-
Mori-Sanchez, P.1
Cohen, A.J.2
Yang, W.3
-
69
-
-
0141616551
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.68.060401
-
M. Cwik, T. Lorenz, J. Baier, R. Müller, G. André, F. Bourée, F. Lichtenberg, A. Freimuth, R. Schmitz, E. Müller-Hartmann, and M. Braden, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.060401 68, 060401 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 060401
-
-
Cwik, M.1
Lorenz, T.2
Baier, J.3
Müller, R.4
André, G.5
Bourée, F.6
Lichtenberg, F.7
Freimuth, A.8
Schmitz, R.9
Müller-Hartmann, E.10
Braden, M.11
-
70
-
-
29744440653
-
First-principles calculations of the electrical properties of LaAlO3 and its interface with Si
-
DOI 10.1103/PhysRevB.72.235329, 235329
-
A. A. Knizhnik, I. M. Iskandarova, A. A. Bagaturyants, B. V. Potapkin, L. R. C. Fonseca, and A. Korkin, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.72.235329 72, 235329 (2005). (Pubitemid 43029145)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.72
, Issue.23
, pp. 1-10
-
-
Knizhnik, A.A.1
Iskandarova, I.M.2
Bagatur'Yants, A.A.3
Potapkin, B.V.4
Fonseca, L.R.C.5
Korkin, A.6
-
71
-
-
51849095417
-
-
0021-8979 10.1063/1.2973671
-
X. Luo and B. Wang, J. Appl. Phys. 0021-8979 10.1063/1.2973671 104, 053503 (2008).
-
(2008)
J. Appl. Phys.
, vol.104
, pp. 053503
-
-
Luo, X.1
Wang, B.2
-
72
-
-
79961185104
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.045440
-
H. Seo and A. A. Demkov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.045440 84, 045440 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 045440
-
-
Seo, H.1
Demkov, A.A.2
-
73
-
-
82655179126
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.195127
-
A. Filippetti, C. D. Pemmaraju, S. Sanvito, P. Delugas, D. Puggioni, and V. Fiorentini, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.195127 84, 195127 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 195127
-
-
Filippetti, A.1
Pemmaraju, C.D.2
Sanvito, S.3
Delugas, P.4
Puggioni, D.5
Fiorentini, V.6
-
74
-
-
0036537434
-
Dielectric functions and optical bandgaps of high-K dielectrics for metal-oxide-semiconductor field-effect transistors by far ultraviolet spectroscopic ellipsometry
-
DOI 10.1063/1.1456246
-
S.-G. Lim, S. Kriventsov, T. N. Jackson, J. H. Haeni, D. G. Schlom, A. M. Balbashov, R. Uecker, P. Reiche, J. L. Freeouf, and G. Lucovsky, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1456246 91, 4500 (2002). (Pubitemid 34435605)
-
(2002)
Journal of Applied Physics
, vol.91
, Issue.7
, pp. 4500
-
-
Lim, S.-G.1
Kriventsov, S.2
Jackson, T.N.3
Haeni, J.H.4
Schlom, D.G.5
Balbashov, A.M.6
Uecker, R.7
Reiche, P.8
Freeouf, J.L.9
Lucovsky, G.10
-
75
-
-
70349912252
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.80.104115
-
X. Luo, B. Wang, and Y. Zheng, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.104115 80, 104115 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 104115
-
-
Luo, X.1
Wang, B.2
Zheng, Y.3
-
76
-
-
36148999800
-
3
-
DOI 10.1016/j.mee.2007.01.181, PII S0167931707002547, Advanced Gate Stack Technology (ISAGST)
-
K. Xiong, J. Robertson, and S. J. Clark, Microelectron. Eng. MIENEF 0167-9317 10.1016/j.mee.2007.01.181 85, 65 (2008). (Pubitemid 350116996)
-
(2008)
Microelectronic Engineering
, vol.85
, Issue.1
, pp. 65-69
-
-
Xiong, K.1
Robertson, J.2
Clark, S.J.3
-
78
-
-
33746414309
-
Band structure of functional oxides by screened exchange and the weighted density approximation
-
DOI 10.1002/pssb.200666802
-
J. Robertson, K. Xiong, and S. J. Clark, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.200666802 243, 2054 (2006). (Pubitemid 44126062)
-
(2006)
Physica Status Solidi (B) Basic Research
, vol.243
, Issue.9
, pp. 2054-2070
-
-
Robertson, J.1
Xiong, K.2
Clark, S.J.3
-
79
-
-
67650266881
-
-
JAPIAU 0021-8979 10.1063/1.3148243
-
J. W. Reiner, A. Posadas, M. Wang, M. Sidorov, Z. Krivokapic, F. J. Walker, T. P. Ma, and C. H. Ahn, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3148243 105, 124501 (2009).
-
(2009)
J. Appl. Phys.
, vol.105
, pp. 124501
-
-
Reiner, J.W.1
Posadas, A.2
Wang, M.3
Sidorov, M.4
Krivokapic, Z.5
Walker, F.J.6
Ma, T.P.7
Ahn, C.H.8
-
80
-
-
84872233703
-
-
Geochemische Verteilungsgesetze der Elemente VII-VIII
-
V. M. Goldsmith, Geochemische Verteilungsgesetze der Elemente VII-VIII (1928).
-
(1928)
-
-
Goldsmith, V.M.1
-
81
-
-
84989330418
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.68.174107
-
K. Uchida, S. Tsuneyuki, and T. Schimizu, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.174107 68, 174107 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 174107
-
-
Uchida, K.1
Tsuneyuki, S.2
Schimizu, T.3
-
83
-
-
0018531349
-
3 perovskites: RE equals La, Nd, Sm, Gd, Y
-
DOI 10.1016/0022-4596(79)90127-0
-
D. A. MacLean, H.-N. Ng, and J. E. Greedan, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(79)90127-0 30, 35 (1979). (Pubitemid 10418854)
-
(1979)
Journal of Solid State Chemistry
, vol.30
, Issue.1
, pp. 35-44
-
-
MacLean David, A.1
Ng Hok Nam2
Greedan, J.E.3
-
84
-
-
0034428129
-
Structural properties of lanthanide and actinide compounds within the plane wave pseudopotential approach
-
DOI 10.1103/PhysRevLett.85.5122
-
C. J. Pickard, B. Winkler, R. K. Chen, M. C. Payne, M. H. Lee, J. S. Lin, J. A. White, V. Milman, and D. Vanderbilt, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.5122 85, 5122 (2000). (Pubitemid 32871789)
-
(2000)
Physical Review Letters
, vol.85
, Issue.24
, pp. 5122-5125
-
-
Pickard, C.J.1
Winkler, B.2
Chen, R.K.3
Payne, M.C.4
Lee, M.H.5
Lin, J.S.6
White, J.A.7
Milman, V.8
Vanderbilt, D.9
-
85
-
-
0001665899
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.53.7158
-
I. Solovyev, N. Hamada, and K. Terakura, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.53.7158 53, 7158 (1996).
-
(1996)
Phys. Rev. B
, vol.53
, pp. 7158
-
-
Solovyev, I.1
Hamada, N.2
Terakura, K.3
-
86
-
-
18844435210
-
3
-
DOI 10.1209/epl/i2004-10513-x
-
S. Okatov, A. Poteryaev, and A. Lichtenstein, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2004-10513-x 70, 499 (2005). (Pubitemid 40689231)
-
(2005)
Europhysics Letters
, vol.70
, Issue.4
, pp. 499-505
-
-
Okatov, S.1
Poteryaev, A.2
Lichtenstein, A.3
-
87
-
-
24344480915
-
1 perovskites: A Wannier-function study
-
DOI 10.1088/1367-2630/7/1/188, PII S1367263005956693
-
E. Pavarini, A. Yamasaki, J. Nuss, and O. K. Andersen, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/7/1/188 7, 188 (2005). (Pubitemid 41261656)
-
(2005)
New Journal of Physics
, vol.7
-
-
Pavarini, E.1
Yamasaki, A.2
Nuss, J.3
Andersen, O.K.4
-
88
-
-
84857751831
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.85.064406
-
S. Krivenko, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.064406 85, 064406 (2012).
-
(2012)
Phys. Rev. B
, vol.85
, pp. 064406
-
-
Krivenko, S.1
-
89
-
-
9744225151
-
Orbital physics in the perovskite Ti oxides
-
DOI 10.1088/1367-2630/6/1/154, PII S1367263004829793
-
M. Mochizuki and M. Imada, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/6/1/154 6, 154 (2004). (Pubitemid 39587891)
-
(2004)
New Journal of Physics
, vol.6
, pp. 1-42
-
-
Mochizuki, M.1
Imada, M.2
-
90
-
-
42749106881
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.69.134403
-
I. V. Solovyev, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.134403 69, 134403 (2004).
-
(2004)
Phys. Rev. B
, vol.69
, pp. 134403
-
-
Solovyev, I.V.1
-
91
-
-
18144394289
-
3
-
DOI 10.1103/PhysRevLett.94.056401, 056401
-
M. W. Haverkort, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 94.056401 94, 056401 (2005). (Pubitemid 40620867)
-
(2005)
Physical Review Letters
, vol.94
, Issue.5
, pp. 1-4
-
-
Haverkort, M.W.1
Hu, Z.2
Tanaka, A.3
Ghiringhelli, G.4
Roth, H.5
Cwik, M.6
Lorenz, T.7
Schussler-Langeheine, C.8
Streltsov, S.V.9
Mylnikova, A.S.10
Anisimov, V.I.11
De Nadai, C.12
Brookes, N.B.13
Hsieh, H.H.14
Lin, H.-J.15
Chen, C.T.16
Mizokawa, T.17
Taguchi, Y.18
Tokura, Y.19
Khomskii, D.I.20
Tjeng, L.H.21
more..
-
92
-
-
28244458402
-
Crystal-field splitting for low symmetry systems in ab initio calculations
-
DOI 10.1103/PhysRevB.71.245114, 245114
-
S. V. Streltsov, A. S. Mylnikova, A. O. Shorikov, Z. V. Pchelkina, D. I. Khomskii, and V. I. Anisimov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71. 245114 71, 245114 (2005). (Pubitemid 41702911)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.71
, Issue.24
, pp. 1-10
-
-
Streltsov, S.V.1
Mylnikova, A.S.2
Shorikov, A.O.3
Pchelkina, Z.V.4
Khomskii, D.I.5
Anisimov, V.I.6
-
93
-
-
50249178203
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.101.087205
-
J.-G. Cheng, Y. Sui, J.-S. Zhou, J. B. Goodenough, and W. H. Su, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.087205 101, 087205 (2008).
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 087205
-
-
Cheng, J.-G.1
Sui, Y.2
Zhou, J.-S.3
Goodenough, J.B.4
Su, W.H.5
-
96
-
-
67049146492
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.195110
-
Y. Nohara, S. Yamamoto, and T. Fujiwara, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.195110 79, 195110 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 195110
-
-
Nohara, Y.1
Yamamoto, S.2
Fujiwara, T.3
-
97
-
-
2942523326
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.92.176403
-
E. Pavarini, S. Biermann, A. Poteryaev, A. I. Lichtenstein, A. Georges, and O. K. Andersen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92. 176403 92, 176403 (2004).
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 176403
-
-
Pavarini, E.1
Biermann, S.2
Poteryaev, A.3
Lichtenstein, A.I.4
Georges, A.5
Andersen, O.K.6
-
98
-
-
0542442371
-
-
PHRVAO 0031-899X 10.1103/PhysRev.100.564
-
J. B. Goodenough, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.100.564 100, 564 (1955).
-
(1955)
Phys. Rev.
, vol.100
, pp. 564
-
-
Goodenough, J.B.1
-
99
-
-
1442267915
-
-
PHYBE3 0921-4526 10.1016/S0921-4526(97)00016-1
-
N. Hamada, H. Sawada, I. Solovyev, and K. Terakura, Physica B: Condensed Matter PHYBE3 0921-4526 10.1016/S0921-4526(97)00016-1 237-238, 11 (1997).
-
(1997)
Physica B: Condensed Matter
, vol.237-238
, pp. 11
-
-
Hamada, N.1
Sawada, H.2
Solovyev, I.3
Terakura, K.4
-
100
-
-
0001606684
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.51.16575
-
G. Pari, S. Mathi Jaya, G. Subramoniam, and R. Asokamani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.51.16575 51, 16575 (1995).
-
(1995)
Phys. Rev. B
, vol.51
, pp. 16575
-
-
Pari, G.1
Mathi Jaya, S.2
Subramoniam, G.3
Asokamani, R.4
-
101
-
-
47249132020
-
-
JCOMEL 0953-8984 10.1088/0953-8984/20/29/293201
-
I. V. Solovyev, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/20/29/293201 20, 293201 (2008).
-
(2008)
J. Phys.: Condens. Matter
, vol.20
, pp. 293201
-
-
Solovyev, I.V.1
-
102
-
-
0001032753
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.48.17006
-
T. Arima, Y. Tokura, and J. B. Torrance, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.48.17006 48, 17006 (1993).
-
(1993)
Phys. Rev. B
, vol.48
, pp. 17006
-
-
Arima, T.1
Tokura, Y.2
Torrance, J.B.3
-
103
-
-
34447120222
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.76.033101
-
I. D. Prodan, G. E. Scuseria, and R. L. Martin, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.033101 76, 033101 (2007).
-
(2007)
Phys. Rev. B
, vol.76
, pp. 033101
-
-
Prodan, I.D.1
Scuseria, G.E.2
Martin, R.L.3
-
104
-
-
33244486971
-
Assessment of metageneralized gradient approximation and screened Coulomb hybrid density functionals on bulk actinide oxides
-
DOI 10.1103/PhysRevB.73.045104, 045104
-
I. D. Prodan, G. E. Scuseria, and R. L. Martin, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.045104 73, 045104 (2006). (Pubitemid 43276668)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.4
, pp. 1-10
-
-
Prodan, I.D.1
Scuseria, G.E.2
Martin, R.L.3
-
105
-
-
22844450509
-
Lattice defects and magnetic ordering in plutonium oxides: A hybrid density-functional-theory study of strongly correlated materials
-
DOI 10.1063/1.1953427, 014703
-
I. D. Prodan, J. A. Sordo, K. N. Kudin, G. E. Scuseria, and R. L. Martin, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1953427 123, 014703 (2005). (Pubitemid 41037071)
-
(2005)
Journal of Chemical Physics
, vol.123
, Issue.1
, pp. 1-5
-
-
Prodan, I.D.1
Scuseria, G.E.2
Sordo, J.A.3
Kudin, K.N.4
Martin, R.L.5
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