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Title: Anomalous magneto-structural behavior of MnBi explained: A path towards an improved permanent magnet

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 susceptibility maximum near 90 K, and, importantly for high-temperature magnetic applications, an increasing coercivity (unique to MnBi) above 180  K. We calculate the total energy and magneto-anisotropy energy (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.
Authors:
;  [1] ;  [1] ;  [2]
  1. The Ames Laboratory, U.S. Department of Energy, Ames, Iowa 50011 (United States)
  2. (United States)
Publication Date:
OSTI Identifier:
22269551
Resource Type:
Journal Article
Resource Relation:
Journal Name: APL Materials; Journal Volume: 2; Journal Issue: 3; Other Information: (c) 2014 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ANISOTROPY; COERCIVE FORCE; LATTICE PARAMETERS; MAGNETIC SUSCEPTIBILITY; PERMANENT MAGNETS; SPIN