Berlin 2018 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 47: Poster Session II

MM 47.1: Poster

Mittwoch, 14. März 2018, 18:30–19:45, Poster C

The impact of magnetism on properties of defects in Fe-Co alloys — •Van Truong Tran and Chu Chun Fu — SRMP, CEA Saclay, Université Paris-Saclay, F-91191, Gif-sur-Yvette, France

Fe-Co alloys have been demonstrated as an intriguing magnetic material with the highest magnetization saturation compared to all known magnetic alloys. They are widely employed for magnetic devices.[1]

The magnetic properties of binary Fe-Co alloys have been investigated extensively by numerous experimental and theoretical studies. However, several properties of structural properties in this alloys are still poorly understood and need to be unfolded.

Our study in an attempt to explore the interplay between magnetic properties and vacancies present in Fe-Co systems in the framework of density functional theory (DFT). In particular, formation energies and migration barriers for the vacancy and the Co solute as functions of local chemical and magnetic environments.

The obtained DFT results will also be used as input data for parameterizing an effective interaction model (EIM). In combination with Atomistic Monte Carlo simulations, we aim to investigate the defect properties as functions of temperature. In particular, the impact of magnetic excitation and transition will be elucidated.

References [1] T. Sourmail, Prog. Mater. Sci. 50, 816 (2005).