Theoretical investigations of As overlayers on InP(110) surfaces

As adsorption and interaction with InP(110) is investigated by means of total-energy minimization calculations. We find that the As-P exchanged configuration has higher energy than the As/InP(110) epitaxially continued layer structure (ECLS), for all types of As reservoirs considered. In the presence of an additional As layer in ECLS (i.e., 1.5 ML adsorbed As), however, the exchanged configuration is only slightly higher in energy than the nonexchanged one. We conclude that the As-P exchange process is energetically unfavorable, and should in any case not be complete at room temperature, as suggested in a recent report. Our conclusion is supported by results of a photoemission study, including As absorption, desorption, and redeposition, according to which the process is nonreversible. [S0163-1829(97)05947-X].