-
2
-
-
20044397027
-
Character of the insulating state in NiO: A mixture of charge-transfer and Mott-Hubbard character
-
DOI 10.1103/PhysRevB.71.115113, 115113
-
T. M. Schuler, D. L. Ederer, S. Itza-Ortiz, G. T. Woods, T. A. Callcott, and J. C. Woicik, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.115113 71, 115113 (2005). (Pubitemid 40777678)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.71
, Issue.11
, pp. 1-7
-
-
Schuler, T.M.1
Ederer, D.L.2
Itza-Ortiz, S.3
Woods, G.T.4
Callcott, T.A.5
Woicik, J.C.6
-
3
-
-
33744664781
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.53.2339
-
G. A. Sawatzky and J. W. Allen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.53.2339 53, 2339 (1984).
-
(1984)
Phys. Rev. Lett.
, vol.53
, pp. 2339
-
-
Sawatzky, G.A.1
Allen, J.W.2
-
4
-
-
5544316000
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.30.957
-
A. Fujimori and F. Minami, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.30.957 30, 957 (1984).
-
(1984)
Phys. Rev. B
, vol.30
, pp. 957
-
-
Fujimori, A.1
Minami, F.2
-
6
-
-
0000697187
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.55.13494
-
S. Massidda, A. Continenza, M. Posternak, and A. Baldereschi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.13494 55, 13494 (1997).
-
(1997)
Phys. Rev. B
, vol.55
, pp. 13494
-
-
Massidda, S.1
Continenza, A.2
Posternak, M.3
Baldereschi, A.4
-
7
-
-
0344121230
-
-
0254-0584 10.1016/j.matchemphys.2003.08.006
-
A. Ermete, Mater. Chem. Phys. 0254-0584 10.1016/j.matchemphys.2003.08.006 82, 937 (2003).
-
(2003)
Mater. Chem. Phys.
, vol.82
, pp. 937
-
-
Ermete, A.1
-
9
-
-
0035896841
-
2
-
DOI 10.1103/PhysRevLett.86.3638
-
F. Reynaud, D. Mertz, F. Celestini, J. M. Debierre, A. M. Ghorayeb, P. Simon, A. Stepanov, J. Voiron, and C. Delmas, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.3638 86, 3638 (2001). (Pubitemid 32419007)
-
(2001)
Physical Review Letters
, vol.86
, Issue.16
, pp. 3638-3640
-
-
Reynaud, F.1
Mertz, D.2
Celestini, F.3
Debierre, J.-M.4
Ghorayeb, A.M.5
Simon, P.6
Stepanov, A.7
Voiron, J.8
Delmas, C.9
-
10
-
-
0000984549
-
-
JACSAT 0002-7863 10.1021/ja00063a035
-
I. J. Pickering, G. N. George, J. T. Lewandowski, and A. J. Jacobson, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00063a035 115, 4137 (1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 4137
-
-
Pickering, I.J.1
George, G.N.2
Lewandowski, J.T.3
Jacobson, A.J.4
-
11
-
-
3342903134
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.62.221
-
P. Kuiper, G. Kruizinga, J. Ghijsen, G. A. Sawatzky, and H. Verweij, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.62.221 62, 221 (1989).
-
(1989)
Phys. Rev. Lett.
, vol.62
, pp. 221
-
-
Kuiper, P.1
Kruizinga, G.2
Ghijsen, J.3
Sawatzky, G.A.4
Verweij, H.5
-
12
-
-
0030589887
-
Direct evidence of O(p) holes in Li-doped NiO from Hartree-Fock calculations
-
DOI 10.1016/0009-2614(95)01415-2
-
W. C. Mackrodt, N. M. Harrison, V. R. Saunders, N. L. Allan, and M. D. Towler, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(95)01415-2 250, 66 (1996). (Pubitemid 126168913)
-
(1996)
Chemical Physics Letters
, vol.250
, Issue.1
, pp. 66-70
-
-
Mackrodt, W.C.1
Harrison, N.M.2
Saunders, V.R.3
Allan, N.L.4
Towler, M.D.5
-
14
-
-
0037089171
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.65.155102
-
I. P. R. Moreira, F. Illas, and R. L. Martin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.155102 65, 155102 (2002).
-
(2002)
Phys. Rev. B
, vol.65
, pp. 155102
-
-
Moreira, I.P.R.1
Illas, F.2
Martin, R.L.3
-
15
-
-
33749832261
-
Hybrid exchange-correlation energy functionals for strongly correlated electrons: Applications to transition-metal monoxides
-
DOI 10.1103/PhysRevB.74.155108
-
F. Tran, P. Blaha, K. Schwarz, and P. Novak, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.155108 74, 155108 (2006). (Pubitemid 44564643)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.74
, Issue.15
, pp. 155108
-
-
Tran, F.1
Blaha, P.2
Schwarz, K.3
Novak, P.4
-
16
-
-
34247533273
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.75.165115
-
J. Kunes, V. I. Anisimov, A. V. Lukoyanov, and D. Vollhardt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.165115 75, 165115 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 165115
-
-
Kunes, J.1
Anisimov, V.I.2
Lukoyanov, A.V.3
Vollhardt, D.4
-
17
-
-
25744460922
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
-
P. E. Blochl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.17953 50, 17953 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blochl, P.E.1
-
18
-
-
33845518500
-
Influence of the exchange screening parameter on the performance of screened hybrid functionals
-
DOI 10.1063/1.2404663
-
V. K. Aliaksandr, A. V. Oleg, F. I. Artur, and E. S. Gustavo, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2404663 125, 224106 (2006). (Pubitemid 44927407)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.22
, pp. 224106
-
-
Krukau, A.V.1
Vydrov, O.A.2
Izmaylov, A.F.3
Scuseria, G.E.4
-
19
-
-
0001486791
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.57.1505
-
S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.1505 57, 1505 (1998).
-
(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
-
20
-
-
1642360568
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.69.075413
-
A. Rohrbach, J. Hafner, and G. Kresse, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.075413 69, 075413 (2004).
-
(2004)
Phys. Rev. B
, vol.69
, pp. 075413
-
-
Rohrbach, A.1
Hafner, J.2
Kresse, G.3
-
21
-
-
2442537377
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
-
G. Kresse and J. Furthmuller, 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
Furthmuller, J.2
-
22
-
-
0000908615
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.3.1039
-
L. C. Bartel and B. Morosin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.3.1039 3, 1039 (1971).
-
(1971)
Phys. Rev. B
, vol.3
, pp. 1039
-
-
Bartel, L.C.1
Morosin, B.2
-
25
-
-
0001309069
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.27.6964
-
A. K. Cheetham and D. A. O. Hope, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.27.6964 27, 6964 (1983).
-
(1983)
Phys. Rev. B
, vol.27
, pp. 6964
-
-
Cheetham, A.K.1
Hope, D.A.O.2
-
26
-
-
0021578424
-
Photoemission and inverse photoemission spectroscopy of NiO
-
DOI 10.1016/0038-1098(84)90007-3
-
S. Hüfner, J. Osterwalder, T. Riesterer, and F. Hulliger, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(84)90007-3 52, 793 (1984). (Pubitemid 15439307)
-
(1984)
Solid State Communications
, vol.52
, Issue.9
, pp. 793-796
-
-
Huefner, S.1
Osterwalder, J.2
Riesterer, T.3
Hulliger, F.4
-
27
-
-
80052443869
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.84.085108
-
H. Chen, C. L. Freeman, and J. H. Harding, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.84.085108 84, 085108 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 085108
-
-
Chen, H.1
Freeman, C.L.2
Harding, J.H.3
-
30
-
-
0037525445
-
-
10.1007/BF01317591
-
F. Reinert, P. Steiner, S. Hüfner, H. Schmitt, J. Fink, M. Knupfer, P. Sandl, and E. Bertel, Z. Phys. B: Condens. Matter 10.1007/BF01317591 97, 83 (1995).
-
(1995)
Z. Phys. B: Condens. Matter
, vol.97
, pp. 83
-
-
Reinert, F.1
Steiner, P.2
Hüfner, S.3
Schmitt, H.4
Fink, J.5
Knupfer, M.6
Sandl, P.7
Bertel, E.8
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