Modulated Phases on the FCC(110) Surfaces with Adsorbate-Induced Reconstructions

Abstract

We theoretically investigate the fcc(110) surfaces with missing row reconstructions induced by adatoms using the Blume–Emmery–Griffith (BEG) model. In the model, Kij is introduced to denote interactions between surface atoms and Jij to describe interactions between dipoles. The investigation by the mean field approximation has predicted that there appear modulated phases on the surfaces as the next-nearest-neighbor (NNN) and the nearest-neighbor (NN) interactions along the [001] direction become competitive. In this study, Monte Carlo simulations are performed to confirm the prediction. A correlation function defined by concentration operators in wave vector q space is calculated. The results show that the concentration modulations appear. The temperature versus the ratio of the NNN interaction K2 to the NN interaction K1 phase diagram is obtained. The possible features of the modulated phases in experiments are discussed.