Spectral properties of the Mott Hubbard insulator (Cr0.011V0.989)(2)O-3 calculated by LDA plus DMFT
Toschi A, Hansmann P, Sangiovanni G, Saha-Dasgupta T, Andersen OK, Held K (2010)
Publication Type: Conference contribution
Publication year: 2010
Publisher: IOP PUBLISHING LTD
City/Town: BRISTOL
Conference Proceedings Title: INTERNATIONAL CONFERENCE ON MAGNETISM (ICM 2009)
Event location: Karlsruhe
DOI: 10.1088/1742-6596/200/1/012208
Abstract
Significant progress in the theoretical description of Mott-Hubbard metal-to-insulator transitions has been made in the last years, especially thanks to the LDA+DMFT approach (local density approximation + dynamical mean field theory). Obviously the main attention has been focused on the transition itself, as, for example, in the textbook case of the Cr-doped V2O3. As we discuss here, however, also the study of the insulating phase, characterized by the opening of a visible Mott-Hubbard gap in the spectral functions is far from being trivial: Strong-correlation effects make this phase strongly sensitive to small changes of external parameters, much more than one would expect for an insulator. In this situation, requiring a full consistency of the theoretical calculations with data from different spectroscopies may provide the most precise estimate for the local Coulomb interaction U in the LDA+DMFT approach.
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APA:
Toschi, A., Hansmann, P., Sangiovanni, G., Saha-Dasgupta, T., Andersen, O.K., & Held, K. (2010). Spectral properties of the Mott Hubbard insulator (Cr0.011V0.989)(2)O-3 calculated by LDA plus DMFT. In INTERNATIONAL CONFERENCE ON MAGNETISM (ICM 2009). Karlsruhe, DE: BRISTOL: IOP PUBLISHING LTD.
MLA:
Toschi, Alessandro, et al. "Spectral properties of the Mott Hubbard insulator (Cr0.011V0.989)(2)O-3 calculated by LDA plus DMFT." Proceedings of the International Conference on Magnetism (ICM 2009), Karlsruhe BRISTOL: IOP PUBLISHING LTD, 2010.
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