-
2
-
-
0030737730
-
-
London
-
A. Asamitsu, Y. Tomioka, H. Kuwahara, and Y. Tokura, Nature (London) 388, 50 (1997).
-
(1997)
Nature
, vol.388
, pp. 50
-
-
Asamitsu, A.1
Tomioka, Y.2
Kuwahara, H.3
Tokura, Y.4
-
3
-
-
0032546824
-
-
M. Fiebig, K. Myano, Y. Tomioka, and Y. Tokura, Science 280, 1925 (1998).
-
(1998)
Science
, vol.280
, pp. 1925
-
-
Fiebig, M.1
Myano, K.2
Tomioka, Y.3
Tokura, Y.4
-
5
-
-
0035421674
-
-
L. Pinsard-Gaudart, J. Rodriguez-Carvajal, A. Daoud-Aladine, I. Goncharenko, M. Medarde, R. I. Smith, and A. Revcolevschi, Phys. Rev. B 64, 064426 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 064426
-
-
Pinsard-Gaudart, L.1
Rodriguez-Carvajal, J.2
Daoud-Aladine, A.3
Goncharenko, I.4
Medarde, M.5
Smith, R.I.6
Revcolevschi, A.7
-
6
-
-
39249083920
-
-
I. Loa, P. Adler, A. Grzechnik, K. Syassen, U. Schwarz, M. Hanfland, G. K. Rozenberg, P. Gorodetsky, and M. P. Pasternak, Phys. Rev. Lett. 87, 125501 (2001).
-
(2001)
Phys. Rev. Lett.
, vol.87
, pp. 125501
-
-
Loa, I.1
Adler, P.2
Grzechnik, A.3
Syassen, K.4
Schwarz, U.5
Hanfland, M.6
Rozenberg, G.K.7
Gorodetsky, P.8
Pasternak, M.P.9
-
7
-
-
15444364543
-
-
un published
-
A. Sani, C. Meneghini, S. Mobilio, S. Ray, D. D. Sarma, and J. A. Alonso (un published).
-
-
-
Sani, A.1
Meneghini, C.2
Mobilio, S.3
Ray, S.4
Sarma, D.D.5
Alonso, J.A.6
-
8
-
-
0000859336
-
-
H. Sawada, Y. Morikawa, K. Terakura, and N., Hamada, Phys. Rev. B 56, 12154 (1997).
-
(1997)
Phys. Rev. B
, vol.56
, pp. 12154
-
-
Sawada, H.1
Morikawa, Y.2
Terakura, K.3
Hamada, N.4
-
12
-
-
0001486791
-
-
S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 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
-
14
-
-
15444378779
-
-
Ph.D. thesis, SISSA
-
M. Cococcioni, Ph.D. thesis, SISSA, 2002.
-
(2002)
-
-
Cococcioni, M.1
-
16
-
-
15444375685
-
-
note
-
In order to check the influence of the value of U on the band structure, we have kept fixed the geometry optimized at 6 GPa and repeated the electronic structure calculation for a value of U different from the one used throughout the article (i.e., U =4.5 eV). In particular, we have considered the change of the band gap: taking U=4.0 eV the band gap changes from 0.30 to 0.27 eV.
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-
-
17
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15444374928
-
-
note
-
p=1.3 a.u.,
-
-
-
-
18
-
-
0000085248
-
-
E. G. Moroni, G. Kresse, J. Hafner, and J. Furthmuller, Phys. Rev. B 56, 15629 (1997).
-
(1997)
Phys. Rev. B
, vol.56
, pp. 15629
-
-
Moroni, E.G.1
Kresse, G.2
Hafner, J.3
Furthmuller, J.4
-
19
-
-
0038658155
-
-
J. Rodriguez-Carvajal, M. Hennion, F. Moussa, A. H. Moudden, L. Pinsard, and A. Revcolevschi, Phys. Rev. B 57, R3189 (1998).
-
(1998)
Phys. Rev. B
, vol.57
-
-
Rodriguez-Carvajal, J.1
Hennion, M.2
Moussa, F.3
Moudden, A.H.4
Pinsard, L.5
Revcolevschi, A.6
-
22
-
-
0036574135
-
-
J. E. Medvedeva, M. A. Korotin, V. I. Anisimov, and A. J. Freeman, Phys: Rev. B 65, 172413 (2002).
-
(2002)
Phys: Rev. B
, vol.65
, pp. 172413
-
-
Medvedeva, J.E.1
Korotin, M.A.2
Anisimov, V.I.3
Freeman, A.J.4
-
23
-
-
15444377713
-
-
note
-
3 (Ref. 20) all magnetic ordered structures were found to be insulating (as the experimental AF-A and PM phases) with comparable band gaps, whereas the non-magnetic structure was found to be metallic. It is thus more appropriate to use either an ordered magnetic state (e.g., AF-A) which at least satisfies Hund's rule (Ref. 21), or an average of several different spin-ordered states, as has been done in Ref. 22 (no atomic relaxation).
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-
-
24
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15444366065
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note
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3 as function of pressure is presently beyond the reach of LDA+DMFT calculations.
-
-
-
-
25
-
-
0035805841
-
-
K. Held, G. Keller, V. Eyert, D. Vollhardt, and V. I. Anisimov, Phys. Rev. Lett. 86, 5345 (2001).
-
(2001)
Phys. Rev. Lett.
, vol.86
, pp. 5345
-
-
Held, K.1
Keller, G.2
Eyert, V.3
Vollhardt, D.4
Anisimov, V.I.5
-
26
-
-
50849151375
-
-
J. B. A. A. Elemans, B. van Laar, K. R. van der Veen, and B. O. Loopstra, J. Phys. Chem. Solids 3, 238 (1971).
-
(1971)
J. Phys. Chem. Solids
, vol.3
, pp. 238
-
-
Elemans, J.B.A.A.1
Van Laar, B.2
Van Der Veen, K.R.3
Loopstra, B.O.4
-
28
-
-
15444367767
-
-
note
-
The inclusion of the 4f channel (see Ref. 8) has not been found sufficient to obtain a tilted structure.
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30
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15444368075
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note
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This leads to vanishing JT distortion at very low pressure (<6 GPa) and a poor description of the structural properties under pressure.
-
-
-
-
33
-
-
4243876912
-
-
P. Ravindran, A. Kjekshus, H. Fiellvåg, A. Delin, and O. Eriksson, Phys. Rev. B 65, 064445 (2002).
-
(2002)
Phys. Rev. B
, vol.65
, pp. 064445
-
-
Ravindran, P.1
Kjekshus, A.2
Fiellvåg, H.3
Delin, A.4
Eriksson, O.5
-
34
-
-
0141651802
-
-
Q. Qian, T. A. Tyson, S. Savrassov, C.-C. Kao, and M. Croft, Phys. Rev. B 68, 014429 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 014429
-
-
Qian, Q.1
Tyson, T.A.2
Savrassov, S.3
Kao, C.-C.4
Croft, M.5
-
36
-
-
0005484511
-
-
D. D. Sarma, N. Shanthi, S. R. Barman, N. Hamada, H. Sawada, and K. Terakura, Phys. Rev. Lett. 75, 1126 (1995).
-
(1995)
Phys. Rev. Lett.
, vol.75
, pp. 1126
-
-
Sarma, D.D.1
Shanthi, N.2
Barman, S.R.3
Hamada, N.4
Sawada, H.5
Terakura, K.6
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