Berlin 2015 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 11: Magnetic Heuslers, Half-Metals and Oxides (jointly with MA)

TT 11.7: Talk

Monday, March 16, 2015, 11:15–11:30, H 0112

Calculation of electronic structure and field-induced magnetic collapse in ferroic materials — •Peter Entel — Faculty of Physics, University Duisburg-Essen, D-47048 Duisburg, Germany

We have performed ab initio electronic structure calculations and Monte Carlo simulations of Fe-Rh, Mn-Ga-C and Heusler intermetallics alloys such as Ni-Co-Cr-Mn-(Ga, In, Sn) which are of interest for magnetic shape-memory devices, solid-state refrigeration and energy systems, an emerging technology involving solid systems. The calculations reveal that the important magnetic phase diagrams of these alloys which show the magnetic collapse and allow predictions of the related magnetocaloric effect which they exhibit at finite temperatures, can be obtained by the ab initio computations alone. This is a one-step procedure from theory to alloy desigan of ferroic functional devices.