journal article·2022-03-01Open access

Magnetocrystalline anisotropy in V– and Cu–doped Fe16N2

Peter Stoeckl, Przemyslaw Wojciech Swatek, Jian-Ping Wang

AIP Advances· Volume 12· Issue 3

Abstract

While giant saturation magnetization has been observed in α″–Fe16N2, its magnetic anisotropy and structural stability leave room for improvement. Several recent studies have investigated the effect of substitution to improve its magnetic properties and/or its stability; among these, substitution of Fe with V or Cu has shown promise. We thus compare the magnetic properties of such alloys in some more detail using first-principles electronic-structure calculations: The magnetocrystalline anisotropy (MCA) energies of ordered Fe16–nVnN2 and Fe16–nCunN2 alloys (n=1, 2), as well as the co-substituted alloy Fe14VCuN2, are obtained within the plane-wave density-functional theory (DFT) code Quantum ESPRESSO.
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Research context

OpenAlex topics: Magnetic properties of thin films · Magnetic and transport properties of perovskites and related materials · Magnetic Properties of Alloys

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Physics and Astronomy, University of Minnesota 1 , Minneapolis, Minnesota 55455, USA

Electrical and Computer Engineering Department, University of Minnesota 2 , Minneapolis, Minnesota 55455, USA

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