Ab initio-based approach to structural change of compound semiconductor surfaces during MBE growth

Ab initio-Based Approach to Crystal Growth

“…I I is written as 11.9) where m I is the reduced mass and r is the radius of gyration. The detailed procedure in the total energy calculations has been reported elsewhere [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30]. In the total energy calculations for the compound semiconductor surfaces with various atomic arrangements, we used the ab initio pseudopotential method based on the local-density functional formalism [9] within the generalized gradient approximation [10].…”

Ab initio-based approach to elemental growth process on the InAs wetting layer grown on GaAs substrate

“…In order to make up the deficiency, we developed an ab initio-based approach applicable to investigate the surface structures and adsorption behavior for various semiconductors such as GaAs, InP, GaN, and InAs [19][20][21][22][23][24][25]. In this study, we extend this approach to elemental growth processes such as adsorption, migration, and desorption behavior of In adatoms.…”

Ab initio-based approach to adsorption–desorption behavior on the InAs(1 1 1)A heteroepitaxially grown on GaAs substrate

“…To this end, we employ our ab inito-based approach taking chemical potentials in the gas phase into account, which was successfully applied to the various compound semiconductor surfaces including GaAs, InP, and GaN [18][19][20][21]. This approach is also applied to qualitatively clarify the dependence of the surfacerelated properties on the film thickness of InAs considering various models, such as the InAs fully relaxed and coherently grown without/with GaAs interface.…”