Document Type
Article
Publication Date
3-7-2017
Abstract
Magnetic materials with excellent performances are desired for functional applications. Based on the high-entropy effect, a system of CoFeMnNiX (X = Al, Cr, Ga, and Sn) magnetic alloys are designed and investigated. The dramatic change in phase structures from face-centered-cubic (FCC) to ordered body-centered-cubic (BCC) phases, caused by adding Al, Ga, and Sn in CoFeMnNiX alloys, originates from the potent short-range chemical order in the liquid state predicted by ab initio molecular dynamics (AIMD) simulations. This phase transition leads to the significant enhancement of the saturation magnetization (Ms), e.g., the CoFeMnNiAl alloy has Ms of 147.86 Am2/kg. First-principles density functional theory (DFT) calculations on the electronic and magnetic structures reveal that the anti-ferromagnetism of Mn atoms in CoFeMnNi is suppressed especially in the CoFeMnNiAl HEA because Al changes the Fermi level and itinerant electron-spin coupling that lead to ferromagnetism.
Recommended Citation
Tingting Zuo, Michael C. Gao, Lizhi Ouyang, Xiao Yang, Yongqiang Cheng, Rui Feng, Shuying Chen, Peter K. Liaw, Jeffrey A. Hawk, Yong Zhang, "Tailoring magnetic behavior of CoFeMnNiX (X = Al, Cr, Ga, and Sn) high entropy alloys by metal doping", Acta Materialia, Vol. 130, 2017, Pages 10-18, ISSN 1359-6454, https://doi.org/10.1016/j.actamat.2017.03.013.