Dresden 2003 – wissenschaftliches Programm

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TT: Tiefe Temperaturen

TT 13: Systeme korrelierter Elektronen: Theorie II

TT 13.1: Hauptvortrag

Mittwoch, 26. März 2003, 14:30–15:00, HSZ304

Realistic calculations of transition metal oxides and f-electron materials with the LDA+DMFT approach — •Karsten Held — Max-Planck Institut für Festkörperphysik, Stuttgart

In the last few years, the merger of conventional band structure theory in the local density approximation (LDA) with the many-body dynamical mean-field theory (DMFT) has been proven to be a powerful tool for the realistic modeling of strongly correlated electron systems. This talk provides a brief introduction to this novel computational technique [1] and presents the results for two prime examples of strongly correlated electron systems, i.e., the Mott-Hubbard transition in V₂O₃ [2] and the volume collapse transition in Ce [3].
I acknowledge support by the Emmy-Noether program of the DFG and thank the coauthors below for the joint effort.

[1] K. Held, I. A. Nekrasov, G. Keller, V. Eyert, N. Blümer, A. K. McMahan, R. T. Scalettar, T. Pruschke, V. I. Anisimov, and D. Vollhardt, The LDA+DMFT approach to correlated electron systems in Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms, J. Grotendorst, D. Marks und A. Muramatsu (Ed.), NIC Series Volume 10, p. 175-209 (2002) [cond-mat/0112079].

[2] K. Held, G. Keller, V. Eyert, V. I. Anisimov, and D. Vollhardt, Phys. Rev. Lett. 86, 5345 (2001).

[3] K. Held, A. K. McMahan, and R. T. Scalettar, Phys. Rev. Lett. 87, 276404 (2001); cond-mat/0208443.