Fundamental Properties of MxP (M = Ti, V, Fe: x = 2, 3) Binary and Ternary Compounds

  • Yun, Won-Seok (Graduate Institute of Ferrous Technology, Pohang University of Science and Technology) ;
  • Lee, Jee-Yong (Graduate Institute of Ferrous Technology, Pohang University of Science and Technology) ;
  • Kim, In-Gee (Graduate Institute of Ferrous Technology, Pohang University of Science and Technology)
  • Published : 2012.05.24

Abstract

In this study, the fundamental properties of $M_xP$ (M = Ti, V, Fe; x = 2, 3) binary compounds were investigated in terms of the FLAPW method within GGA. The calculated lattice parameters are well consistent with experimental values. Among considered systems, only the FM state of $Fe_xP$ compounds found to be more stable compared to the NM one. Discussion on the fundamental properties of $M_xP$ ternary compounds also will be given.

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