Alloying effect on the order-disorder transformation in tetragonal FeNi

Tian, Li-YunUppsala universitet,Materialteori,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, S-10044 Stockholm, Sweden. (author)

Funding Agencies:Orszagos Tudomanyos Kutatasi Alapprogramok (OTKA)OTKA 128229Development and Innovation Fund of Hungary 123988
QC 20210426
Tetragonal ([Formula: see text]) FeNi is a promising material for high-performance rare-earth-free permanent magnets. Pure tetragonal FeNi is very difficult to synthesize due to its low chemical order-disorder transition temperature ([Formula: see text] K), and thus one must consider alternative non-equilibrium processing routes and alloy design strategies that make the formation of tetragonal FeNi feasible. In this paper, we investigate by density functional theory as implemented in the exact muffin-tin orbitals method whether alloying FeNi with a suitable element can have a positive impact on the phase formation and ordering properties while largely maintaining its attractive intrinsic magnetic properties. We find that small amount of non-magnetic (Al and Ti) or magnetic (Cr and Co) elements increase the order-disorder transition temperature. Adding Mo to the Co-doped system further enhances the ordering temperature while the Curie temperature is decreased only by a few degrees. Our results show that alloying is a viable route to stabilizing the ordered tetragonal phase of FeNi.

Gutfleisch, OliverInstitute of Materials Science, Technische Universität Darmstadt, Darmstadt, Germany,Tech Univ Darmstadt, Inst Mat Sci, D-64287 Darmstadt, Germany. (author)
Eriksson, Olle,1960-Uppsala universitet,Örebro universitet,Institutionen för naturvetenskap och teknik,Division of Materials Theory, Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden,Uppsala Univ, Dept Phys & Astron, Div Mat Theory, Box 516, S-75120 Uppsala, Sweden.;Örebro Univ, Sch Sci & Engn, Örebro, Sweden.,Materialteori(Swepub:uu)olleerik (author)
Vitos, LeventeUppsala universitet,KTH,Egenskaper,Division of Materials Theory, Department of Physics and Astronomy, Uppsala University, Box 516, Uppsala, 751 20, Sweden,Materialteori,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, S-10044 Stockholm, Sweden.;Wigner Res Ctr Phys, Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary.(Swepub:uu)lvi21721 (author)
Tian, LiyunKTH,Materialvetenskap,Division of Materials Theory, Department of Physics and Astronomy, Uppsala University, Sweden(Swepub:kth)u1cgzy8k (author)
Uppsala universitetMaterialteori (creator_code:org_t)

By the author/editor: Tian, Li-Yun; Gutfleisch, Oliv ...; Eriksson, Olle, ...; Vitos, Levente; Tian, Liyun

About the subject

NATURAL SCIENCES: NATURAL SCIENCES; and Physical Science ...; and Condensed Matter ...

By the university: Örebro University; Royal Institute of Technology; Uppsala University

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