Publication Date:
1990
Short description:
Chemisorption of H on GaAs(110): a first-principle calculation / Bertoni, Carlo Maria; M., Buongiorno Nardelli; F., Bernardini; F., Finocchi; Molinari, Elisa. - In: EUROPHYSICS LETTERS. - ISSN 0295-5075. - STAMPA. - 13:(1990), pp. 653-658. [10.1209/0295-5075/13/7/014]
abstract:
We calculate the equilibrium structure of a monolayer of H chemisorbed on GaAs(110), and show that is characterized by the full removal of the substrate relaxation and by a counterrelaxation of about -5 degrees.The corresponding vibration frequencies of the H-subtrate bonds and chemisorption induced changes in the electronic structure are also calculated, and found in good agreementwith the available experimental data.
Iris type:
Articolo su rivista
Keywords:
Surface structure and electronic properties.
Total energy calculations with DTF-LDA.
Chemisorption on semiconductor surfaces.
List of contributors:
Bertoni, Carlo Maria; M., Buongiorno Nardelli; F., Bernardini; F., Finocchi; Molinari, Elisa
Published in: