Bonding and thermodynamic properties of the transition metal based alloys

  • Pasturel A
  • Colinet C
  • Hicter P
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We present simple band-models able to calculate the thermodynamic data for transition metal based alloys in a tight-binding approach. In the case of d metal-p metal alloys the highly negative values of thermodynamic data have been explained from the filling of the d-band of the transition metal by the sp electrons of p metal. For binary transitional alloys, the heats of formation are studied as a function of differences between elemental bandwidths and atomic energy levels. © 1985.

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