Correlation of magnetic moment versus spacing distance of metastable fcc structured iron

Kong, L.T.; Liu, B.X.
May 2004
Applied Physics Letters;5/3/2004, Vol. 84 Issue 18, p3627
Academic Journal
Based on the projector augmented-wave method, ab initio calculations confirm the ground state is of ferromagnetic bcc Fe and reveal a paramagnetic state for the hcp Fe. Interestingly, the calculations predict that there exist at least three distinct magnetic orderings for the metastable fcc structured Fe—a paramagnetic and low-spin and high-spin ferromagnetic states—within a lattice constant ranging from 0.34 to 0.38 nm, and that, upon increasing the atomic volume of Fe, the magnetic moment is enhanced and can even be greater than that of the equilibrium bcc Fe. © 2004 American Institute of Physics.


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