5 research outputs found
Effect of magnetic state on the transition in iron: First-principle calculations of the Bain transformation path
Energetics of the fcc () - bcc () lattice transformation by
the Bain tetragonal deformation is calculated for both magnetically ordered and
paramagnetic (disordered local moment) states of iron. The first-principle
computational results manifest a relevance of the magnetic order in a scenario
of the - transition and reveal a special role of the Curie
temperature of -Fe, , where a character of the transformation is
changed. At a cooling down to the temperatures one can expect that
the transformation is developed as a lattice instability whereas for
it follows a standard mechanism of creation and growth of an embryo of the new
phase. It explains a closeness of to the temperature of start of the
martensitic transformation, .Comment: 4 pages, 3 figures, submitted in Phys. Rev. Letter