Document Type

Article

Publication Date

2014

Journal or Book Title

APL Materials

Volume

2

Issue

3

First Page

032103

DOI

10.1063/1.4867223

Abstract

Low-temperature MnBi (hexagonal NiAs phase) exhibits anomalies in the lattice constants (a, c) and bulk elastic modulus (B) below 100 K, spin reorientation and magnetic susceptibilitymaximum near 90 K, and, importantly for high-temperature magnetic applications, an increasingcoercivity (unique to MnBi) above 180  K. We calculate the total energy and magneto-anisotropyenergy (MAE) versus (a, c) using DFT+U methods. We reproduce and explain all the above anomalies. We predict that coercivity and MAE increase due to increasing a, suggesting means to improve MnBi permanent magnets.

Comments

This article is from APL Materials 2 (2013): 032103, doi:10.1063/1.4867223.

Rights

Copyright 2014 Authors. All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.

Copyright Owner

The authors

Language

en

File Format

application/pdf

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