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arxiv 2103.07322 v1 pith:XECP7US6 submitted 2021-03-12 cond-mat.mtrl-sci physics.comp-ph

Incorporation of Si atoms into CrCoNiFe high-entropy alloy: a DFT study

S. Assa Aravindh , Andrey A. Kistanov , Matti Alatalo , Jukka K\"omi , Marko Huttula , Wei Cao This is my paper
classification cond-mat.mtrl-sci physics.comp-ph
keywords crconifealloyelectronicfunctionalmagneticmechanicalpropertiessubstitution
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Density functional theory based computational study has been conducted in order to investigate the effect of substitution of Cr and Co components by Si on the structure, mechanical, electronic, and magnetic properties of the high entropy alloy CrCoNiFe. It is found that the presence of a moderate concentration of Si substitutes (up to 12.5 %) does not significantly reduce the structural and mechanical stability of CrCoNiFe while it may modify its electronic and magnetic properties. Based on that, Si is proposed as a cheap and functional material for partial substitution of Cr or Co in CrCoNiFe.

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