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1
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0034292597
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B. Keimer, D. Casa, A. Ivanov, J.W. Lynn, M.v. Zimmermann, J.P. Hill, D. Gibbs, Y. Taguchi, and Y. Tokura, Phys. Rev. Lett. 85, 3946 (2000).
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Phys. Rev. Lett.
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Keimer, B.1
Casa, D.2
Ivanov, A.3
Lynn, J.W.4
Zimmermann, M.V.5
Hill, J.P.6
Gibbs, D.7
Taguchi, Y.8
Tokura, Y.9
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2
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4243989166
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C. Ulrich, G. Khaliullin, S. Okamoto, M. Reehuis, A. Ivanov, H. He, Y. Taguchi, Y. Tokura, and B. Keimer, Phys. Rev. Lett. 89, 167202 (2002).
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Phys. Rev. Lett.
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Ulrich, C.1
Khaliullin, G.2
Okamoto, S.3
Reehuis, M.4
Ivanov, A.5
He, H.6
Taguchi, Y.7
Tokura, Y.8
Keimer, B.9
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4
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33845361928
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K.I. Kugel and D.I. Khomskii, Usp. Fiz. Nauk 136, 621 (1982) [Sov. Phys. Usp. 25, 231 (1982)].
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(1982)
Sov. Phys. Usp.
, vol.25
, pp. 231
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10
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0141616551
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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 68, 060401(R) (2003).
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(2003)
Phys. Rev. B
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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
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13
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33646640287
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note
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J is responsible for the first Hund rule. Interactions enforcing the second Hund rule are neglected in Eq. (1), but will be taken into accound in the HF calculations (Ref. 23), discuss below.
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14
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33646650436
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note
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2.
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15
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33646639385
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note
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g orbitals. All TB parameters are available at the request via email.
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16
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23244461569
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O.K. Andersen, Phys. Rev. B 12, 3060 (1975). The La(4f) states were treated as the core states. A number of empty spheres has been added in order to improve the atomic-sphere approximation. The energy bands shown in Fig. 2 are in a good agreement with the previous calculations (Refs. 5 and 6).
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(1975)
Phys. Rev. B
, vol.12
, pp. 3060
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Andersen, O.K.1
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17
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33646640477
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cond-mat/0309102 (unpublished)
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E. Pavarini, S. Biermann, A. Poteryaev, A.I. Lichtenstein, A. Georges, and O.K. Andersen, cond-mat/0309102 (unpublished).
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Pavarini, E.1
Biermann, S.2
Poteryaev, A.3
Lichtenstein, A.I.4
Georges, A.5
Andersen, O.K.6
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18
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33646635702
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note
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2g level interacting with the four short-distanced oxygen sites will be split off and shifted to the higher energies due to the Ti-O hybridization.
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19
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33646660629
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note
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The behavior is qualitatively consistent with the orbital ordering shown in Fig. 1. The occupied orbitals are largely nonorthogonal along the c direction. This should correspond to the AFM spin coupling. The nearly orthogonal occupied orbitals in the ab plane give rise to the FM coupling.
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20
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0001665899
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I. Solovyev, N. Hamada, and K. Terakura, Phys. Rev. B 53, 7158 (1996). The standard constraint-LDA calculations yield U ∼8 eV, which is too large.
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(1996)
Phys. Rev. B
, vol.53
, pp. 7158
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Solovyev, I.1
Hamada, N.2
Terakura, K.3
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21
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33646640286
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note
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4)/14, in terms of radial Slater's integrals.
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25
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0023345567
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A.I. Liechtenstein, M.I. Katsnelson, V.P. Antropov, and V.A. Gubanov, J. Magn. Magn. Mater. 67, 65 (1987).
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(1987)
J. Magn. Magn. Mater.
, vol.67
, pp. 65
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Liechtenstein, A.I.1
Katsnelson, M.I.2
Antropov, V.P.3
Gubanov, V.A.4
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26
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33646663344
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note
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ij are consistent with the form of this magnetic state.
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