Structural phase transition study of FePt alloys using ab initio calculation
Materials Science and Engineering A-structural Materials Properties Microstructure and Processing. Lausanne: Elsevier B.V. Sa, v. 521-22, p. 167-168, 2009.
Universidade Estadual Paulista (Unesp)
Universidade de São Paulo (USP)
The FePt alloy undergoes the cubic to tetragonal lattice transformation in the ferromagnetic state. We calculated the electronic structure for both cubic and tetragonal structures using the FPLAPW method with APW + lo. Comparing the density of states of the cubic and tetragonal structures, it is expected that the lattice transformation is caused by the band Jahn-Teller effect. (C) 2009 Elsevier B.V. All rights reserved.