Journal
OPTIK
Volume 130, Issue -, Pages 517-524Publisher
ELSEVIER GMBH
DOI: 10.1016/j.ijleo.2016.10.139
Keywords
Double perovskites; Direct bandgap; Chemical bonding; Dielectric function; Reflectivity; Optical conductivity
Categories
Funding
- King Saud University [RGP-VPP-311]
Ask authors/readers for more resources
Different physical properties of the double perovskite A(2)InSbO(6) (A = Ca, Sr, Ba) compounds are investigated using the full potential linear augmented plane wave method within the density functional theory (DFT) where different generalized gradient approximations are used for approximating the exchange-correlation effects. Importantly, the DFT calculated structural indexes are in close agreement with the experimental data. The compounds show a semiconductor nature with a direct bandgap where the upper valence band is mainly consist of the O-p state, and the lower part of the conduction band is composed of the Sb-s state. Furthermore, the electron charge density plots show that the chemical bonding is partially covalent and ionic. From the DFT calculated optical properties, it is clear that the A(2)InSbO(6) (A= Ca, Sr, Ba) compounds strongly absorb and reflect the incident radiation in the visible and ultraviolet range and can therefore be effectively used in optoelectronic devices. (C) 2016 Elsevier GmbH. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available