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024 7 _ |a 10.1103/PhysRevLett.99.126402
|2 DOI
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024 7 _ |a 2128/7728
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037 _ _ |a PreJuSER-58286
041 _ _ |a eng
082 _ _ |a 550
084 _ _ |2 WoS
|a Physics, Multidisciplinary
100 1 _ |a De Raychaudhury, M.
|b 0
|0 P:(DE-HGF)0
245 _ _ |a Orbital fluctuations in the different phases of LaVO3 and YVO3
260 _ _ |a College Park, Md.
|b APS
|c 2007
300 _ _ |a 126402
336 7 _ |a Journal Article
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336 7 _ |a JOURNAL_ARTICLE
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336 7 _ |a article
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440 _ 0 |a Physical Review Letters
|x 0031-9007
|0 4925
|v 99
500 _ _ |a Record converted from VDB: 12.11.2012
520 _ _ |a We investigate the importance of quantum orbital fluctuations in the orthorhombic and monoclinic phases of the Mott insulators LaVO3 and YVO3. First, we construct ab initio material-specific t(2g) Hubbard models. Then, by using dynamical mean-field theory, we calculate the spectral matrix as a function of temperature. Our Hubbard bands and Mott gaps are in very good agreement with spectroscopy. We show that in orthorhombic LaVO3, quantum orbital fluctuations are strong and that they are suppressed only in the monoclinic 140 K phase. In YVO3 the suppression happens already at 300 K. We show that Jahn-Teller and GdFeO3-type distortions are both crucial in determining the type of orbital and magnetic order in the low temperature phases.
536 _ _ |a Kondensierte Materie
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700 1 _ |a Pavarini, E.
|b 1
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700 1 _ |a Andersen, O. K.
|b 2
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773 _ _ |a 10.1103/PhysRevLett.99.126402
|g Vol. 99, p. 126402
|p 126402
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|t Physical review letters
|v 99
|y 2007
|x 0031-9007
856 7 _ |u http://dx.doi.org/10.1103/PhysRevLett.99.126402
856 4 _ |u https://juser.fz-juelich.de/record/58286/files/FZJ-58286.pdf
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913 1 _ |k P54
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914 1 _ |y 2007
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915 _ _ |a American Physical Society Transfer of Copyright Agreement
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920 1 _ |k IFF-1
|l Quanten-Theorie der Materialien
|d 31.12.2010
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