  The surface segregation of indium atoms in InGaAs is investigated using
first-principles calculations based on density functional theory. Through the
calculation of segregation energies for (100), (110), and (111) surfaces of
GaAs we analyze the decisive role of surface orientation on indium segregation.
Further, our calculations reveal that the variation of segregation energy as a
function of applied strain strongly depends on surface reconstruction. Obtained
segregation energy trends are discussed in light of atomic bonding probed via
integrated crystal orbital Hamilton population. Results presented in this paper
are anticipated to guide experimental efforts to achieve control on In
segregation by managing As-flux along with the application of strain.
