title: Atomic and electronic structure of Bi/GaAs(001)-α2(2 × 4).
abstract: We report an ab initio pseudopotential calculation for the atomic and electronic structure of Bi/GaAs(001)-α2(2 × 4). Three structural models with Bi coverages of Θ = 1/4 are considered, containing one Bi dimer or two Bi-As mixed dimers. According to our calculations for this coverage, the atomic model of the Bi/GaAs(001)-(2 × 4) reconstruction is similar to the α2 structure of the clean GaAs(001)-(2 × 4) surface in which the top As dimer is replaced by a Bi dimer. This result is in agreement with the most recent scanning tunneling microscopy work.
authors.affiliation: Department of Physics, Gazi University, Teknikokullar, 06500 Ankara, Turkey.
authors.forename: D
authors.initials: D
authors.lastname: Usanmaz
authors.forename: M
authors.initials: M
authors.lastname: Cakmak
authors.forename: S
authors.initials: S
authors.lastname: Ellialtioğlu