Madelung energy of metal-metalloid compounds

Using the formula including charge transfers on sites, the binding energy call be described by the sum of the short-range energy, the on-site charge transfer energy and the long-range electrostatic energy. For discussing the 'ionic' contributions on the binding energy, Madelung energies are calculated for the complex compounds of 3d transition metal (M) and metalloid (B,Si) of MB2, MSi2 and MSi and are compared to the heat of formation. (C) 1999 Elsevier Science B.V. All rights reserved.