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Note that the sigma phase is not an ordered compound in the strict sense of having only one composition-both in the model and in real FeCr, there is a range of composition within which the sigma phase exists. In addition, the sigma phase is a complex phase with five sublattices, and configurational disorder exists on some sublattices: this does give rise to some configurational entropy but not of itself enough to stabilize the phase.
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Note that the sigma phase is not an ordered compound in the strict sense of having only one composition-both in the model and in real FeCr, there is a range of composition within which the sigma phase exists. In addition, the sigma phase is a complex phase with five sublattices, and configurational disorder exists on some sublattices: this does give rise to some configurational entropy but not of itself enough to stabilize the phase.
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The interpretation of the additional entropy coming from paramagnetism should not be taken too literally. In such a simple model the σ degeneracy captures all spin, phonon, and electronic contributions to the excess entropy, while the p label incorporates all bonding contributions, including the implicit lattice rearrangement from B2 to sigma.
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The interpretation of the additional entropy coming from paramagnetism should not be taken too literally. In such a simple model the σ degeneracy captures all spin, phonon, and electronic contributions to the excess entropy, while the p label incorporates all bonding contributions, including the implicit lattice rearrangement from B2 to sigma.
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