First-principles study of Ge dangling bonds with different oxygen backbonds at Ge/GeO 2 interface
Journal
Journal of Applied Physics
Journal Volume
111
Journal Issue
7
Date Issued
2012
Author(s)
Abstract
Calculations based on the density functional theory predict the formation of gap states near the Ge conduction-band minimum, due to the presence of the dangling bonds of Ge 1+ and Ge 2+ atoms at the Ge/GeO 2 interface. Additionally, gap states near the valence-band maximum appear in the presence of threefold Ge 0+ dangling bonds at the Ge/GeO 2 interface. To further discuss the electrical property of the GeO 2 near the interface , the oxygen-vacancy-related defect in GeO 2 is calculated with bulk oxide structure. The result shows that the thermodynamical-transition level of 2/0 is 5.11 eV above the valence-band maximum of GeO 2. The high transition level energy indicates the 2 charge state is a possible source for positive fixed-charges in defective GeO 2. © 2012 American Institute of Physics.
SDGs
Type
journal article