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Electronic structure calculations for correlated materials: FeAl and CrSb2

A talk by Anna Galler, Institute for Solid State Physics, Vienna University of Technology

Monday, October 6th 2014, 4:00 p.m.
Seminar Room 138C, Vienna University of Technology, "Freihaus"‐ building, 9th floor, "yellow" – Wiedner Hauptstraße 8‐10, A‐1040 Vienna, AUSTRIA)

 

ABSTRACT: In this talk, I will review the realistic many-body approach called "LDA+DMFT" that combines density functional theory in its local density approximation with dynamical mean field theory. I will explain the merits of the theory for the examples of the intermetallics FeAl and CrSb2, two correlated materials with interesting physical properties. While FeAl has been studied because of its intriguing magnetic properties, CrSb2 might have potential as a new thermoelectric material.

Anna Galler

VIENNA COMPUTATIONAL MATERIALS LABORATORY

Sensengasse 8/12
A-1090 Vienna
AUSTRIA
T: +43-1-4277-51401
F: +43-1-4277-9514
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University of Vienna | Universitätsring 1 | 1010 Vienna | T +43-1-4277-0
Lastupdate: 07.10.2015 - 16:42