Publication Date

6-8-2020

Department

Ames Laboratory; Physics and Astronomy

Campus Units

Physics and Astronomy, Ames Laboratory

OSTI ID+

1635120

Report Number

IS-J 10273

DOI

10.1039/D0ME00050G

Journal Title

Molecular Systems Design & Engineering

Volume Number

5

Issue Number

6

First Page

1098

Last Page

1117

Abstract

New magnetic materials for energy and information-processing applications are of paramount importance in view of significant global challenges in environmental and information security. The discovery and design of materials requires efficient computational and experimental approaches for high throughput and efficiency. When increasingly powerful computational techniques are combined with special non-equilibrium fabrication methods, the search can uncover metastable compounds with desired magnetic properties. Here we review recent results on novel Fe-, Co- and Mn-rich magnetic compounds with high magnetocrystalline anisotropy, saturation magnetization, and Curie temperature created by combining experiments, adaptive genetic algorithm searches, and advanced electronic-structure computational methods. We discuss structural and magnetic properties of such materials including Co– and/or Fe–X compounds (X = N, Si, Sn, Zr, Hf, Y, C, S, Ti, or Mn), and their prospects for practical applications.

DOE Contract Number(s)

FG02-04ER46152; AC02-07CH11358

Language

en

Publisher

Iowa State University Digital Repository, Ames IA (United States)

Included in

Physics Commons

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