Structural and electronic properties of group III Rich In0.53Ga0.47As(001)

Theoretical analysis of initial adsorption of high-κ metal oxides on InxGa1−xAs( 1)-(4×2) surfaces

“…17 Determination of the atomic structure of both the clean and adsorbate-covered surface is simpler for InAs in comparison to InGaAs due to the lower surface defect density along with unambiguous assignment of the group III atoms as In. 16͒ and In 0.53 Ga 0.47 As͑0 0 1͒-͑4 ϫ 2͒ ͑Ref.…”

“…17 The clean In 0.5 Ga 0.5 As͑0 0 1͒-͑4 ϫ 2͒ surface was modeled on a double slab, two ͑4 ϫ 2͒ unit cells ͑ϳ16.95ϫ 16.95 Å 2 ͒ containing a total of 140 atoms, with periodic boundary conditions. 17 The clean In 0.5 Ga 0.5 As͑0 0 1͒-͑4 ϫ 2͒ surface was modeled on a double slab, two ͑4 ϫ 2͒ unit cells ͑ϳ16.95ϫ 16.95 Å 2 ͒ containing a total of 140 atoms, with periodic boundary conditions.…”

“…The initial, relaxed In-GaAs slab configuration for both types of simulations was previously reported by Shen et al, 17 where an in depth description of the InGa alloying is described. The initial, relaxed In-GaAs slab configuration for both types of simulations was previously reported by Shen et al, 17 where an in depth description of the InGa alloying is described.…”

“…16,17 The group III-rich ͑4 ϫ 2͒ reconstructions of InAs and In .53 Ga . 16,17 The group III-rich ͑4 ϫ 2͒ reconstructions of InAs and In .53 Ga .…”

“…17 However, the larger band gap of In 0.53 Ga 0.47 As͑0 0 1͒-͑4 ϫ 2͒ improves the ease of analysis of the electronic properties for both DFT simulation and scanning tunneling spectroscopy experiments. The atomic structures of adsorbates were analyzed on the InAs͑0 0 1͒-͑4 ϫ 2͒ surface due to the simplicity of the atomic structure of InAs compared to InGaAs.…”