D. Errandonea, TIGHT-BINDING STUDY OF THE ELECTRONIC AND MAGNETIC-PROPERTIES OF AN L1(0) ORDERED FECU ALLOY, Physics letters. A, 233(1-2), 1997, pp. 139-142
We have calculated the electronic structure of the tetragonal L1(0) or
dered FeCu alloy by solving self-consistently a tight-binding Hamilton
ian for s, p and d electrons. We have found by a total energy calculat
ion that this structure is ferromagnetic. In addition, we have determi
ned that the equilibrium ratio between the interlayer and the intralay
er lattice parameters is 0.947. (C) 1997 Elsevier Science B.V.