Regensburg 2016 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 17: Poster Session I

MA 17.60: Poster

Dienstag, 8. März 2016, 09:30–12:30, Poster B1

High-throughput screening for antiferromagnetic Heusler compounds using density functional theory — •Jan Balluff, Markus Meinert, and Günter Reiss — Center for Spinelectronic Materials and Devices, Physics Department, Bielefeld University, Germany

Due to the exchange bias effect antiferromagnetic compounds are of particular interest for the field of spintronics. Since Heusler alloys are a very versatile family of compounds, searching for new, promising antiferromagnetic materials within this family is reasonable. Here, we report on a high-throughput screening among the Heusler compounds for systems with an antiferromagnetic ground state. Starting from a detailed evaluation of raw magnetic data for Heusler compounds extracted from the AFLOWLib, which contains data for more than 300,000 Heusler compounds, we determine possible candidates by means of formation energy and convex hull calculations. Further examination is done by explicit comparision of ferromagnetic / antiferromagnetic ground state calculations.