Tight-binding calculations of the electronic structure and magnetic properties in ordered TPt₃(T=Ti, V, Cr, Mn, Fe and Co) alloys

Tight-binding-type self-consistent spin-polarised band calculations are performed to study the electronic structure and magnetic properties of ordered TPt3 (T=Ti, V, Cr, Mn, Fe and Co) alloys with Cu3Au structure. The global trends of the magnetic moments and low-temperature specific heat coefficients are explained successfully. Ferrimagnetism in VPt3 and CrPt3 is explained in terms of the hybridisation between 3d states in the V or Cr band and 5d states in the Pt band. The antiferromagnetic state with collinear magnetic moment on T atoms in the (110) subsheets and with no moment on Pt atoms is shown to be the most stable for FePt3 among these alloys.