Premium
Theoretical Investigations for Surface Reconstructions of Submonolayer InAs Grown on GaAs(001)
Author(s) -
Ito Tomonori,
Akiyama Toru,
Nakamura Kohji,
Pradipto AbdulMuizz
Publication year - 2019
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.201800476
Subject(s) - monolayer , pseudopotential , dimer , lattice (music) , crystallography , surface reconstruction , ab initio , surface (topology) , materials science , chemistry , condensed matter physics , nanotechnology , physics , geometry , mathematics , organic chemistry , acoustics
Surface reconstructions of submonolayer InAs grown on GaAs(001) are investigated using ab initio pseudopotential calculations. Decreasing As chemical potential, calculated formation energies as a function of As chemical potential reveals that the surface reconstructions change from (4 × 3) with one In‐As and two As dimers at InAs coverage θ = 0.71 monolayer (ML) to (2 × 4) at θ = 1.38 ML via c(4 × 4) with two In‐As and one As dimers at θ = 0.88 ML. It should be noted that the (4 × 3) with two In‐As and one As dimers is less stable than the c(4 × 4) with the same dimer constituents. The c(4 × 4) with two In‐As and one As dimers is still stable even due to the lattice constraint of GaAs that tend to destabilize c(4 × 4) and (2 × 4) but stabilize many (4 × 3) phases. Consequently, the newly found c(4 × 4) is an intermediate phase to form the (2 × 4) domain on the (4 × 3) surface in InAs/GaAs(001).