학술논문
Electronic and optical properties of novel double perovskite compound Cs2 RbInI6 .
Document Type
Article
Author
Source
Subject
*OPTICAL properties
*DENSITY functionals
*PEROVSKITE
*DENSITY functional theory
*CLEAN energy
*CESIUM compounds
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Language
ISSN
1842-2403
Abstract
Novel energy materials grab the attention of researchers because of the huge demand for green energy sources. We have attempted to investigate the physical properties of such material which will be suitable for photovoltaic applications. Double perovskites of A2BB'X6 framework have been conspicuous materials by the virtue of their magnificent electronic and optical properties. We have computed the physical properties of Cs2RbInI6 double perovskite compound using the first principles method along with density functional theory (DFT). Complete computational analysis has been done within wien2k simulation code which is based on full potential linearized augmented plane wave method. [ABSTRACT FROM AUTHOR]