Eur. Phys. J. Appl. Phys.
Volume 52, Number 3, December 2010
|Number of page(s)||7|
|Published online||30 November 2010|
Electronic structure of aluminum oxide: ab initio simulations of α and γ phases and comparison with experiment for amorphous films
Institute of Semiconductor Physics, Siberian Branch of the Russian Academy of Sciences, Academician Lavrentiev Ave. 13, 630090 Novosibirsk, Russia
2 Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Academician Lavrentiev Ave. 5, 630090 Novosibirsk, Russia
Accepted: 10 August 2010
Published online: 30 November 2010
The electronic structure of γ-Al2O3 and α-Al2O3 has been investigated by means of the density functional theory. A comparison of the calculation results with experimental data for amorphous alumina films is also presented. The electronic structure is described in terms of band structure and density of states. It has been found that γ-Al2O3 have similar electronic structure with α-Al2O3 and amorphous Al2O3. Effective electron masses in γ-Al2O3 as well as in α-Al2O3 equal to ≈ 0.4 m0 that is in a good agreement with the experimentally found tunnel electron mass in amorphous Al2O3. The heavy holes in both alumina crystals are explained by the valence band top forming by O 2pπ nonbonding orbitals.
© EDP Sciences, 2010
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.