Enhanced nucleation of Al islands on H-dosed Si(100)-2 × 1 surface: A combined density functional theory and kinetic Monte Carlo study
Abstract
Using a combined density functional theory (DFT) and kinetic Monte Carlo (kMC) approach, we show that the presence of small dose of hydrogen atoms on Si(100)-2 × 1 surface can increase Al chain density by as much as four times compared to the clean Si(100)-2 × 1 value. Though the observed enhanced nucleation can be explained by trapping of Al adatoms by H and their subsequent stabilization into islands, we find that a similar increase in island density can be achieved even when H merely blocks (but does not trap) Al adatoms. For H-bound islands, our DFT analysis suggests that Al adatoms are pinned preferentially on one side of H. Additionally, we argue that despite the high ratio of diffusion to adsorption rates which should favor H-bound islands over homogeneously nucleated islands, the former is not as numerous conventional nucleation theory would predict. © 2013 Elsevier B.V.
Source or Periodical Title
Surface Science
ISSN
396028
Page
73-80
Document Type
Article
Subject
Aluminum, First-principles calculations, Kinetic, Monte Carlo simulations, One-dimensional islands, Si(100)
Recommended Citation
Albao, Marvin A.; Putungan, Darwin B.; Hsu, Chia Hsiu; and Chuang, Feng Chuan, "Enhanced nucleation of Al islands on H-dosed Si(100)-2 × 1 surface: A combined density functional theory and kinetic Monte Carlo study" (2021). Journal Article. 2103.
https://www.ukdr.uplb.edu.ph/journal-articles/2103