European Physical Journal B, ( ISI ), No (43), Year (2005-2) , Pages (439-444)

Title : First-principles study of the optical properties of pure α-Al2O3 and La aluminates ( First-principles study of the optical properties of pure α-Al2O3 and La aluminates )

Authors: Mohammad Hosseini , Hossein Asghar Rahnamaye Aliabad , Ahmad Kompany ,

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Abstract The optical properties of high k-gate α-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 α-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.

Keywords

, First, principles study of the optical properties of pure α, Al2O3 and La
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@article{paperid:103073,
author = {Hosseini, Mohammad and Rahnamaye Aliabad, Hossein Asghar and Kompany, Ahmad},
title = {First-principles study of the optical properties of pure α-Al2O3 and La aluminates},
journal = {European Physical Journal B},
year = {2005},
number = {43},
month = {February},
issn = {1434-6028},
pages = {439--444},
numpages = {5},
keywords = {First-principles study of the optical properties of pure α-Al2O3 and La aluminates},
}

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%0 Journal Article
%T First-principles study of the optical properties of pure α-Al2O3 and La aluminates
%A Hosseini, Mohammad
%A Rahnamaye Aliabad, Hossein Asghar
%A Kompany, Ahmad
%J European Physical Journal B
%@ 1434-6028
%D 2005

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