Tailoring magnetic behavior of CoFeMnNiX (X = Al, Cr, Ga, and Sn) high entropy alloys by metal doping

Zuo, Tingting; Gao, Michael C.; Ouyang, Lizhi; Yang, Xiao; Cheng, Yongqiang; Feng, Rui; Chen, Shuying; Liaw, Peter K.; Hawk, Jeffrey A.; Zhang, Yong

doi:10.1016/j.actamat.2017.03.013

Title: Tailoring magnetic behavior of CoFeMnNiX (X = Al, Cr, Ga, and Sn) high entropy alloys by metal doping

Journal Article · Tue Mar 07 00:00:00 EST 2017 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2017.03.013· OSTI ID:1393391

Zuo, Tingting ^[1]; Gao, Michael C. ^[2]; Ouyang, Lizhi ^[3]; Yang, Xiao ^[4]; Cheng, Yongqiang ^[5]; Feng, Rui ^[6]; Chen, Shuying ^[6]; Liaw, Peter K. ^[6]; Hawk, Jeffrey A. ^[7]; Zhang, Yong ^[8]

Univ. of Science and Technology, Beijing (China). State Key Lab. for Advanced Metals and Materials; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
National Energy Technology Lab. (NETL), Albany, OR (United States); AECOM, Albany, OR (United States)
Tennessee State Univ., Nashville, TN (United States). Dept. of Physics and Mathematics
Univ. of Science and Technology, Beijing (China). State Key Lab. for Advanced Metals and Materials; Univ. of Science and Technology, Beijing (China). State Key Lab. of Advanced Metallurgy
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division
Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
National Energy Technology Lab. (NETL), Albany, OR (United States)
Univ. of Science and Technology, Beijing (China). State Key Lab. for Advanced Metals and Materials

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 (M_s), e.g., the CoFeMnNiAl alloy has M_s of 147.86 Am²/kg. In conclusion, 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.

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Research Organization:: National Energy Technology Lab. (NETL), Pittsburgh, PA, and Morgantown, WV (United States). In-house Research

Sponsoring Organization:: USDOE Office of Fossil Energy (FE)

Grant/Contract Number:: FE0004000; FE0008855; FE0011194; FE0024054; FE0011549; FE-0008855; FE-0011194; FE-0024054; FE-0011549

OSTI ID:: 1393391

Alternate ID(s):: OSTI ID: 1398625

Journal Information:: Acta Materialia, Vol. 130, Issue C; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 149 works

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Microstructure and Properties of CoCrFeNi(WC) High-Entropy Alloy Coatings Prepared Using Mechanical Alloying and Hot Pressing Sintering Xu, Juan; Wang, Shouren; Shang, Caiyun Coatings, Vol. 9, Issue 1 https://doi.org/10.3390/coatings9010016	journal	December 2018
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Title: Tailoring magnetic behavior of CoFeMnNiX (X = Al, Cr, Ga, and Sn) high entropy alloys by metal doping

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