Regensburg 2019 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 12: Poster session I

MM 12.29: Poster

Montag, 1. April 2019, 19:15–20:45, Poster C

Magnetic properties of the CoCrFeMnNi high entropy alloy — •Soner Steiner^1,2,3, Sergii Khmelevskyi⁴, and Dominik Legut¹ — ¹IT4Innovations, VSB - Technical University of Ostrava, Ostrava, Czech Republic — ²Institute of Solid State Physics, TU Wien, 1040 Wien, Austria — ³University of Applied Sciences Wiener Neustadt, Austria — ⁴Center for Computational Materials Science, Vienna University of Technology, Wiedner Hauptstrasse $8$, $1040$ Vienna, Austria

We investigated the elastic properties and magnetism of the high entropy alloy CoCrFeMnNi in the basis of first principles. We have calculated the elastic properties at elevated temperatures taking into account longitudinal spin fluctuations (LSF). We show that LSF essentially renormalize the elastic constants compared to those calculated for magnetically ordered state. With the use of calculated exchange constants in paramagnetic state we attempt to understand the kind of magnetic ordering in this system. We also employ the locally self-consistent Green's function (LSGF) within the exact muffin tin method (ELSGF) formalism to visualize the random spin glass like state by performing the first-principles calculations for large random supercells (up to 500 atoms).