First-principles studies of kinetics in epitaxial growth of III-V semiconductors

Details First-principles studies of kinetics in epitaxial growth of III-V semiconductors First-principles studies of kinetics in epitaxial growth of III-V semiconductors

2001-05-22

arxiv.org/abs/cond-mat/0105430v2

Physics

Condensed Matter

Materials Science

12 pages, 7 figures, REVTeX, Final version to appear in Appl. Phys. A (2002). Other related publications can be found at htt

Scientific paper

10.1007/s003390101057

We demonstrate how first-principles calculations using density-functional theory (DFT) can be applied to gain insight into the molecular processes that rule the physics of materials processing. Specifically, we study the molecular beam epitaxy (MBE) of arsenic compound semiconductors. For homoepitaxy of GaAs on GaAs(001), a growth model is presented that builds on results of DFT calculations for molecular processes on the beta2-reconstructed GaAs(001) surface, including adsorption, desorption, surface diffusion and nucleation. Kinetic Monte Carlo simulations on the basis of the calculated energetics enable us to model MBE growth of GaAs from beams of Ga and As_2 in atomistic detail. The simulations show that island nucleation is controlled by the reaction of As_2 molecules with Ga adatoms on the surface. The analysis reveals that the scaling laws of standard nucleation theory for the island density as a function of growth temperature are not applicable to GaAs epitaxy. We also discuss heteroepitaxy of InAs on GaAs(001), and report first-principles DFT calculations for In diffusion on the strained GaAs substrate. In particular we address the effect of heteroepitaxial strain on the growth kinetics of coherently strained InAs islands. The strain field around an island is found to cause a slowing-down of material transport from the substrate towards the island and thus helps to achieve more homogeneous island sizes.

Affiliated with

Also associated with

No associations

Rating

First-principles studies of kinetics in epitaxial growth of III-V semiconductors does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with First-principles studies of kinetics in epitaxial growth of III-V semiconductors, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and First-principles studies of kinetics in epitaxial growth of III-V semiconductors will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-354489