Surface segregations in light random alloys

The electronic and thermodynamic properties of the (100) surface of random substitutional aluminum-lithium alloys with and without boron addition are investigated on the basis of the linear-muffin-tin-orbital (LMTO) calculations in the framework of the coherent potential approximation (CPA). Charge transfer effects are incorporated into the calculation scheme via suitable choice of the Madelung potential and energy. We report results concerning the dependence of the surface energy and work function on layer concentration. Segregation tendencies and charge transfer near the surface region are analyzed.