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5
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(1997)
Phys. Rev. B
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Gonze, X.1
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12
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85038342362
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An extremely vast literature about (formula presented) has been produced in the last five years. For a recent review see Physics of Manganites, edited by T. A. Kaplan and S. D. Mahanti (Kluwer/Plenum, New York, 1999)
-
An extremely vast literature about (formula presented) has been produced in the last five years. For a recent review see Physics of Manganites, edited by T. A. Kaplan and S. D. Mahanti (Kluwer/Plenum, New York, 1999).
-
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-
-
19
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0034289756
-
-
For example, in ZnO the strong hybridization is responsible for the large piezoelectricity, but does not cause either the BEC anomaly or ferroelectricity
-
For example, in ZnO the strong hybridization is responsible for the large piezoelectricity, but does not cause either the BEC anomaly or ferroelectricity: N.A. Hill and U. Waghmare, Phys. Rev. B 62, 8802 (2000).
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(2000)
Phys. Rev. B
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-
-
Hill, N.A.1
Waghmare, U.2
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20
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85038330963
-
-
The BEC’s are larger than the formal charges (although perhaps not large enough to be described as “anomalous”) not only in ferroelectric perovskites, but also in some nonferroelectric rocksalt oxides (Ref. 15) (e.g., CaO, SrO, BaO) and rutiles (Ref. 16) (formula presented)
-
The BEC’s are larger than the formal charges (although perhaps not large enough to be described as “anomalous”) not only in ferroelectric perovskites, but also in some nonferroelectric rocksalt oxides (Ref. 15) (e.g., CaO, SrO, BaO) and rutiles (Ref. 16) (formula presented).
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21
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0005999358
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0001185827
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25
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85038295059
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We use a verison of PWSCF code originally implemented in SISSA, Trieste, and generalized by one of the authors to allow for spin polarization
-
We use a verison of PWSCF code originally implemented in SISSA, Trieste, and generalized by one of the authors to allow for spin polarization.
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30
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0001076146
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37
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0000339255
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Ph. Ghosez, E. Cockayne, U.V. Waghmare, and K.M. Rabe, Phys. Rev. B 60, 836 (1999).
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41
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85038321525
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the tetragonal distortion Ba are kept fixed, while O and Ti are moved against each other. The displacement ratios are
-
In the tetragonal distortion Ba are kept fixed, while O and Ti are moved against each other. The displacement ratios are.
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-
-
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42
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0031123677
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-
For a nice overview of the main features of magnetic ordering in manganise perovskites see
-
For a nice overview of the main features of magnetic ordering in manganise perovskites see D.I. Khomskii and G.A. Sawatzky, Solid State Commun. 102, 87 (1997).
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(1997)
Solid State Commun
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Khomskii, D.I.1
Sawatzky, G.A.2
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43
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85038316035
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-
Although this perfect agreement may be fortuitous, it has been shown that LSD calculations accurately describe the properties of (formula presented) (for example, the observed G-type AFM ordering is correctly found to be the lowest in energy)
-
Although this perfect agreement may be fortuitous, it has been shown that LSD calculations accurately describe the properties of (formula presented) (for example, the observed G-type AFM ordering is correctly found to be the lowest in energy).
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44
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0000502176
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0000697187
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66
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85038345080
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During the review process of this work, new structural data of single-crystal (formula presented) have been published (Ref. 45) which seem to challenge previous measurements (Ref. 37) and suggest that the major off-center distortion does not reside on Mn but on Y, as a consequence of oxygen rotations. Eventually, both these displacements may contribute to the ferroelectric state
-
During the review process of this work, new structural data of single-crystal (formula presented) have been published (Ref. 45) which seem to challenge previous measurements (Ref. 37) and suggest that the major off-center distortion does not reside on Mn but on Y, as a consequence of oxygen rotations. Eventually, both these displacements may contribute to the ferroelectric state.
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67
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85038309945
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We are currently implementing a method based on self-interaction corrected pseudopotentials (Ref. 55) which seems promising of improving the LSDA results. Another interesting approach recently applied to study magnetic materials is the model GW used in Ref. 33
-
We are currently implementing a method based on self-interaction corrected pseudopotentials (Ref. 55) which seems promising of improving the LSDA results. Another interesting approach recently applied to study magnetic materials is the model GW used in Ref. 33.
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