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The bcc-based Fe_{1-x}Al_{x} exhibit interesting magnetic and anomalousstructural properties as a function of composition and sample processingconditions arising from thermal or off-stoichiometric chemical disorder, and,although well studied, these properties are not understood. In stoichiometricB2 FeAl, including the effects of partial long-range order (i.e., thermalantisites), we find the observed paramagnetic response (with non-zero localmoments), in contrast to past investigations which find ferromagnetism based onlocal density approximation (LDA) to density functional theory or which find anon-magnetic state from LDA+U, both of which are inconsistent with experiment.Moreover, from this magneto-chemical coupling, we are able to determine theorigins of the lattice constant anomalies found in Fe_{1-x}Al_{x} for x=25-50,as observed from various processing conditions.Comment: 8 pages, 4 figure

physical review. b, condensed matter and materials physics

Importance of thermal disorder on the properties of alloys: Origin of paramagnetism and structural anomalies in bcc-based<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="normal">Fe</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi mathvariant="normal">Al</mml:mi><mml:mi>x</mml:mi></mml:msub></mml:mrow></mml:math>

Importance of thermal disorder on the properties of alloys: Origin of paramagnetism and structural anomalies in bcc-basedFe1−xAlx