Stabilization of the tetragonal distortion of Fe chi Co1-chi alloys by C impurities : A potential new permanent magnet

• We have analyzed by density functional theory calculations the structural and magnetic properties of Fe-Co alloys doped by carbon. In analogy with the formation of martensite in steels we predict that such a structure also forms for Fe-Co alloys in a wide range of concentrations. These alloys are predicted to have a stable tetragonal distortion, which in turn leads to an enhanced magnetocrystalline anisotropy energy of up to 0.75 MJ/m(3) and a saturated magnetization field of 1.9 T.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

Total-Energy Calculations

Augmented-Wave Method

Carbon-Steel

Basis-Set

Approximation

Anisotropy

Transformation

Martensite

Mechanism

Crystal

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