Tight-binding calculations of the electronic structure and magnetic properties in ordered TPt3(T=Ti, V, Cr, Mn, Fe and Co) alloys
- 13 March 1989
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 1 (10) , 1789-1798
- https://doi.org/10.1088/0953-8984/1/10/001
Abstract
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.Keywords
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