Magnetic properties of CrFeCoNi based high entory alloy

Junqi Yin, Markus Eisenbach, Makrus Daene, G. Malcolm Stocks

Research output: Contribution to journalConference articlepeer-review

Abstract

Monte Carlo simulations are performed on three high entropy alloys: Cr0.25Fe0.25Co0.25Ni0.25, Cr0.2Fe0.2Co0.2Ni0.2Pd0.2, and Cr0.2Mn0.2Fe0.2Co0.2Ni0.2, with exchange interactions extracted from The ab initio Korringa-Kohn-Rostoker method combined with the coherent potential approximation calculations. Using finite size scaling analyses, we estimate the magnetic phase transition temperature for the four component alloy to be 108(2) K, and although the individual critical exponents are different from 3D Heisenberg universality class, the reduced exponent follows Suzuki weak universality. With the additional Palladium component, the transition temperature elevates to about 200 K. In contrast, we find no magnetic order for the five component alloy with Manganese at any finite temperatures.

Original languageEnglish
Article number012004
JournalJournal of Physics: Conference Series
Volume2122
Issue number1
DOIs
StatePublished - Dec 9 2021
Event32nd Annual CSP Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics, CSP 2019 - Athens, Georgia
Duration: Feb 18 2019Feb 22 2019

Funding

Acknowledgments This work was sponsored by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. This research used resources of Oak Ridge National Laboratory’s Compute and Data Environment for Science (CADES) and the Oak Ridge Leadership Computing Facility, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725.

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