Volume 89, Number 5, March 2010
|Number of page(s)||4|
|Section||Condensed Matter: Structural, Mechanical and Thermal Properties|
|Published online||30 March 2010|
Effects of surface reconstructions on oxygen adsorption at AlN polar surfaces
Materials Department, University of California - Santa Barbara, CA 93106-5050, USA
Corresponding author: firstname.lastname@example.org
Accepted: 2 March 2010
An understanding of oxygen adsorption is important for better control of O incorporation and oxidation of nitride semiconductors. Using the density functional method, we demonstrate that under Al-rich conditions Al adatoms or O substitution on N sites can stabilize oxygen adsorption on the (0001) surface. We identify three stabilization mechanisms: the electron counting rule; oxide stoichiometry; and changes in hybridization of the surface Al. In contrast to previous claims, we find that the O adsorption energies exhibit similar trends with increasing coverage for (0001) and (000) surfaces, showing that the energetics of O adsorption do not strongly depend on polarity.
PACS: 68.47.Fg – Semiconductor surfaces / 68.35.Md – Surface thermodynamics, surface energies / 68.43.Fg – Adsorbate structure (binding sites, geometry)
© EPLA, 2010
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