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Lattice dynamics in strongly correlated electron systems

Lattice dynamics in strongly correlated electron systems
place:new ANKA seminar room, building 348, 2nd floor Affiliation:

Department of Computational Materials Science, Institute of Nuclear Physics, Polish Academy of Sciences, Kraków, Poland

Date:

18.07.2016

Ort:new ANKA seminar room, building 348, 2nd floor
Inviting person:

Svetoslav Stankov, KIT - IPS

Speaker:

Przemyslaw Piekarz

Time:

11:00

Achieving a correct description of materials with open and
highly localized d and f shells (strongly correlated materials)
by density functional theory (DFT) remains among the most
challenging tasks in theoretical condensed matter physics.
In the seminar I will present a few examples of transition-metal oxides
and rare-earth 4f-electron systems, where the incorporation of
strong electron interactions within the DFT+U method leads
to better description of interatomic forces and phonon energies.