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Title: Importance of thermal disorder on the properties of alloys: Origin of paramagnetism and structural anomalies in bcc-based Fe 1 x Al x

Abstract

Fe1−xAlx exhibits interesting magnetic and anomalous structural properties as a function of composition and sample processing conditions arising from thermal or off-stoichiometric chemical disorder, and, although well studied, these properties are not understood. In stoichiometric B2 FeAl, including the effects of partial longrange order, i.e., thermal antisites, we find the experimentally observed paramagnetic response with nonzero local moments, in contrast to past investigations that find either a ferromagnetic or nonmagnetic state, both inconsistent with experiment. Moreover, from this magnetochemical coupling, we are able to determine the origins of the observed lattice constant anomalies found in Fe1−xAlx for x.0.25–0.5 under various processing conditions.

Authors:
; ;
Publication Date:
Research Org.:
Oak Ridge National Laboratory, Oak Ridge Leadership Computing Facility (OLCF), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1564617
Resource Type:
Journal Article
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 71; Journal Issue: 6; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
Materials Science; Physics

Citation Formats

Smirnov, A. V., Shelton, W. A., and Johnson, D. D. Importance of thermal disorder on the properties of alloys: Origin of paramagnetism and structural anomalies in bcc-based Fe1−xAlx. United States: N. p., 2005. Web. doi:10.1103/physrevb.71.064408.
Smirnov, A. V., Shelton, W. A., & Johnson, D. D. Importance of thermal disorder on the properties of alloys: Origin of paramagnetism and structural anomalies in bcc-based Fe1−xAlx. United States. doi:10.1103/physrevb.71.064408.
Smirnov, A. V., Shelton, W. A., and Johnson, D. D. Tue . "Importance of thermal disorder on the properties of alloys: Origin of paramagnetism and structural anomalies in bcc-based Fe1−xAlx". United States. doi:10.1103/physrevb.71.064408.
@article{osti_1564617,
title = {Importance of thermal disorder on the properties of alloys: Origin of paramagnetism and structural anomalies in bcc-based Fe1−xAlx},
author = {Smirnov, A. V. and Shelton, W. A. and Johnson, D. D.},
abstractNote = {Fe1−xAlx exhibits interesting magnetic and anomalous structural properties as a function of composition and sample processing conditions arising from thermal or off-stoichiometric chemical disorder, and, although well studied, these properties are not understood. In stoichiometric B2 FeAl, including the effects of partial longrange order, i.e., thermal antisites, we find the experimentally observed paramagnetic response with nonzero local moments, in contrast to past investigations that find either a ferromagnetic or nonmagnetic state, both inconsistent with experiment. Moreover, from this magnetochemical coupling, we are able to determine the origins of the observed lattice constant anomalies found in Fe1−xAlx for x.0.25–0.5 under various processing conditions.},
doi = {10.1103/physrevb.71.064408},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = 6,
volume = 71,
place = {United States},
year = {2005},
month = {2}
}

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