Effects of Mn and Al addition on structural and magnetic properties of FeCoNi-based high entropy alloys

doi:10.1088/2053-1591/aadaa7

IMR OpenIR

	Effects of Mn and Al addition on structural and magnetic properties of FeCoNi-based high entropy alloys
	Feng, Wenqiang 1,2,4; Qi, Yang 3; Wang, Shaoqing 1
通讯作者	Feng, Wenqiang(wqfeng14b@imr.ac.cn)
	2018-10-01
发表期刊	MATERIALS RESEARCH EXPRESS
ISSN	2053-1591
卷号	5 期号:10 页码:13
摘要	The effects of Mn and Al additions on the structural stability and magnetic properties of FeCoNi-based alloys were investigated by density functional theory. The simulation results show that adding Al into FeCoNi alloy leads to the transformation of alloy structure from FCC to BCC with B2 structure. The doping of non-magnetic Al reduces the saturation magnetization, regardless alloy structure is FCC, BCC or B2 phase. The FeCoNiMn alloy prefers to form L1(2) structure to diminish the magnetic frustration. In the L1(2) structure, Mn minority spin peak moves from above to below Fermi level, further increasing Mn magnetic moment. For FeCoNi(MnAl)(x) alloys, the alloy structures change from FCC to BCC with the increase of Mn and Al content. The Mn atoms are transformed from antiferromagnetic to ferromagnetic order and the saturation magnetizations are significantly enhanced due to phase transition. It is found that there is obvious short-range order (SRO) in FeCoNi(MnAl)(2) alloy. The SRO parameters are positive between Al-Al, Co-Co, Co-Ni pairs and negative between Ni-Al, Co-Al, Co-Mn, and Mn-Ni pairs. The electronic structure near the Fermi level shows significant difference from random solid structure, which will affect magnetic and electrical properties of FeCoNi(MnAl)(2) alloy.
关键词	high entropy alloys short-range order density functional theory Monte Carlo simulation
资助者	National Natural Science Foundation of China ; National Key R&D Program of China ; CAS Frontier Science Research Project ; Informalization Construction Project of Chinese Academy of Sciences
DOI	10.1088/2053-1591/aadaa7
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[51471164] ; National Key R&D Program of China[2016YFB0701302] ; CAS Frontier Science Research Project[QYZDJ-SSW-JSC015] ; Informalization Construction Project of Chinese Academy of Sciences[INFO-115-B01]
WOS研究方向	Materials Science
WOS类目	Materials Science, Multidisciplinary
WOS记录号	WOS:000442686800005
出版者	IOP PUBLISHING LTD
引用统计	被引频次：30[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/129062
专题	中国科学院金属研究所
通讯作者	Feng, Wenqiang
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China 2.Univ Sci & Technol Liaoning, Coll Sci, Anshan 114051, Liaoning, Peoples R China 3.Northeastern Univ, Coll Sci, Shenyang 110819, Liaoning, Peoples R China 4.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Feng, Wenqiang,Qi, Yang,Wang, Shaoqing. Effects of Mn and Al addition on structural and magnetic properties of FeCoNi-based high entropy alloys[J]. MATERIALS RESEARCH EXPRESS,2018,5(10):13.
APA	Feng, Wenqiang,Qi, Yang,&Wang, Shaoqing.(2018).Effects of Mn and Al addition on structural and magnetic properties of FeCoNi-based high entropy alloys.MATERIALS RESEARCH EXPRESS,5(10),13.
MLA	Feng, Wenqiang,et al."Effects of Mn and Al addition on structural and magnetic properties of FeCoNi-based high entropy alloys".MATERIALS RESEARCH EXPRESS 5.10(2018):13.