The new approach for the calculation of surface composition profiles of binary alloys (MTCIP-2A: Modern Thermodynamic Calculation of Interface Properties - Second Approximation), applied so far for low-index surfaces of PtNi, PtCo and PtRh, is further improved and applied for PtCo, leading to a better overall agreement with the experimental data, especially in the previously problematic case of Pt25Co75(111). For that, the Gibbsian thermodynamic conditions for critical states and other changes, such as the calculation of surface free energies (used here when improving the description of lattice distortion release), have been included.
Corresponding author: W. Hofer (hofer).