Systematic theoretical investigations of adsorption behavior on the GaAs(0 0 l)-c(4 × 4) surfaces

Tomonori Ito, Kazumi Tsutsumida, Kohji Nakamura, Yoshihiro Kangawa, Kenji Shiraishi, Akihito Taguchi, Hiroyuki Kageshima

Research output: Contribution to journalArticlepeer-review

21 Citations (Scopus)


Adsorption behavior on the GaAs(0 0 l)-c(4 × 4) surfaces is systematically investigated by using our ab initio-based approach and the Monte Carlo methods. The change in stable structure of the c(4 × 4) surfaces is clarified by considering adsorption or desorption of surface dimers as functions of temperature and As pressure. The calculated results imply that the c(4 × 4) surface with As dimers is stable at low temperatures less than ∼400 K, whereas the surface with Ga-As dimers is stabilized at high temperatures in the range of ∼400-700 K. The disordered dimer arrangements consisting of Ga and As substituted by each other in the c(4 × 4) unit cell hardly appear even at high temperatures such as -∼800 K. We also investigate the behavior of Ga and As adatoms on these c(4 × 4) surfaces. The calculated results reveal that Ga atoms can adsorb and migrate on the surfaces while desorption of As adatoms proceeds without sufficient migration. Therefore, Ga adatoms play an important role for the epitaxial growth of GaAs on the GaAs(0 0 l)-c(4 × 4) surface.

Original languageEnglish
Pages (from-to)194-199
Number of pages6
JournalApplied Surface Science
Issue number1-4
Publication statusPublished - Oct 15 2004
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Surfaces, Coatings and Films
  • Surfaces and Interfaces


Dive into the research topics of 'Systematic theoretical investigations of adsorption behavior on the GaAs(0 0 l)-c(4 × 4) surfaces'. Together they form a unique fingerprint.

Cite this