Münster 1999 – wissenschaftliches Programm

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TT: Tiefe Temperaturen

TT 7: Heavy Fermions

TT 7.1: Hauptvortrag

Dienstag, 23. März 1999, 09:30–10:00, F1

LDA+U approach to the electronic structure of strongly correlated systems. — •A. Perlov^1,2, A. Yaresko^1,2, V. Antonov^1,2, H. Eschrig³, and P. Oppeneer³ — ¹Max Planck Institute for the physics of Complex Systems,Dresden — ²Institute of Metal Physics, Kiev, Ukraine — ³University of Technology, Dresden

As is well known Density Functional Theory (DFT) is a powerful tool for the description of the electronic properties of solids. At the same time the simplest and the most efficient realisation of DFT - Local Density Approximation fails being applied to strongly correlated systems. First part of this talk will be devoted to the description of a possible extension to LDA, LDA+U scheme [1], which allows to improve substantially the description of localised electrons.

In the second part some results obtained on the base of the LDA+U approach will be shown. In particular, the description of the colossal magnetooptical Kerr effect in CeSb, peculiarities of the electronic structure of low carrier Yb₄As₃ and related compounds, an explanation of the inverse metal-insulator transition in UNiSn will be discussed.

[1] V. I. Anisimov, J. Zaanen, and O. K. Andersen, Phys. Rev. B 44, 943 (1991)