title: Global optimization of bimetallic cluster structures. II. Size-matched Ag-Pd, Ag-Au, and Pd-Pt systems.
abstract: Genetic algorithm global optimization of Ag-Pd, Ag-Au, and Pd-Pt clusters is performed. The 34- and 38-atom clusters are optimized for all compositions. The atom-atom interactions are modeled by a semiempirical potential. All three systems are characterized by a small size mismatch and a weak tendency of the larger atoms to segregate at the surface of the smaller ones. As a result, the global minimum structures exhibit a larger mixing than in Ag-Cu and Ag-Ni clusters. Polyicosahedral structures present generally favorable energetic configurations, even though they are less favorable than in the case of the size-mismatched systems. A comparison between all the systems studied here and in the previous paper (on size-mismatched systems) is presented.
authors.affiliation: Istituto Nazionale per la Fisica della Materia (INFM) ed il Magnetismo/Consiglio Nazionale delle Ricerche (IMEM/CNR), Dipartimento di Fisica dell'Universita di Genova, via Dodecaneso, 33, 116146 Genova, Italy.
authors.forename: Giulia
authors.initials: G
authors.lastname: Rossi
authors.forename: Riccardo
authors.initials: R
authors.lastname: Ferrando
authors.forename: Arnaldo
authors.initials: A
authors.lastname: Rapallo
authors.forename: Alessandro
authors.initials: A
authors.lastname: Fortunelli
authors.forename: Benjamin C
authors.initials: BC
authors.lastname: Curley
authors.forename: Lesley D
authors.initials: LD
authors.lastname: Lloyd
authors.forename: Roy L
authors.initials: RL
authors.lastname: Johnston