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- Title
First-principles study of the optical properties of pure a-Al2O3 and La aluminates.
- Authors
Hosseini, S. M.; Aliabad, H. A. Rahnamaye; Kompany, A.
- Abstract
The optical properties of high k-gate a-Al2O3 and the effect of doping La have been studied by first principles using the density functional theory. The calculations were performed using the full potential-linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA). The calculated optical properties and EEL spectrum yield a static refractive index of 1.64 and a plasmon energy of 21.6 eV for pure a-Al2O3. Substitution of La for Al increases the static refractive index to 1.73, but decreases the plasmon energy to 17.8 eV for the Al1.5La0.5O3 molecule.
- Subjects
THIN films; ALUMINUM oxide; SOLID state electronics; DENSITY functionals; OPTICAL properties
- Publication
European Physical Journal B: Condensed Matter, 2005, Vol 43, Issue 4, p439
- ISSN
1434-6028
- Publication type
Article
- DOI
10.1140/epjb/e2005-00076-8