Eur. Phys. J. B 6, 39-44 (1998)
https://doi.org/10.1007/s100510050524

Charge transfers in complex transition metal alloys (T_i2F_e)

Laboratoire de Physique des Solides, associé au CNRS, Université de Paris-Sud, Centre d'Orsay, 91405 Orsay, France

Corresponding author: ^a abra@lps.u-psud.fr

Received: 7 July 1997
Revised: 10 March 1998
Accepted: 3 April 1998
Published online: 15 November 1998

Abstract

We introduce a new Non-Orthogonal Tight-Binding model, for complex alloys, in which electronic structure is characterized by charge transfers. We give the analytic calculation of a charge transfer, in which overlapping two-center terms are rigorously taken into account. Then, we apply numerically this result to an approximant phase of a quasicrystal of T_i2F_e alloy. This model is more particularly adapted to transition metals, and gives realistic densities of states.