The interfacial bonding and electronic structure of HfO2/GaSb interfaces has been investigated through first principles calculations. The calculated electronic structures of these interfaces reveal that some O-rich interfaces are semiconducting interfaces without any gap states. In contrast, for the interfaces with lower interfacial O content, gap states appear in the GaSbband gap, close to the conduction band. The valence band offsets are found to vary from 2.2 eV to 3.6 eV, depending on the interfacial O content. Our results suggest that GaSb is a suitable material to form high quality interface with HfO2.
Received 06 September 2012Accepted 19 December 2012Published online 15 January 2013
This research was supported by the Semiconductor Research Corporation MSD Focus Center Research Program and the Nanoelectronics Research Initiative and the National Institute of Standards and Technology through the Midwest Institute for Nanoelectronics Discovery (MIND). Calculations are done on the Texas Advanced Computing Center (TACC).
9.C. L. Hinkle, A. M. Sonnet, E. M. Vogel, S. McDonnell, G. J. Hughes, M. Milojevic, B. Lee, F. S. Aguirre-Tostado, K. J. Choi, H. C. Kim, J. Kim, and R. M. Wallace, Appl. Phys. Lett.92, 071901 (2008).