Journal
PHYSICAL REVIEW B
Volume 79, Issue 18, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.184406
Keywords
ab initio calculations; Curie temperature; density functional theory; ferromagnetic materials; Heisenberg model; iron; magnetic moments
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The pressure dependence of the Curie temperature in bcc iron has been studied employing spin-density-functional theory in combination with the Heisenberg model. We show that the results correctly predict an essential independence of the Curie temperature of bcc iron on the external pressure, in agreement with the experimental findings. This behavior is explained as a result of a competition between the decrease in the local magnetic moments and the increase in the magnetic coupling as function of rising pressure.
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