STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF CU 2 SNS 3 SOLAR ABSORBER

STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF CU 2 SNS 3 SOLAR ABSORBER: A FIRST-PRINCIPLE DENSITY FUNCTIONAL THEORY INVESTIGATION

Abstract:
Cu2SnS3 (CTS) has emerged as a promising candidate for thin-film solar cell absorber materials due to its suitable bandgap, earth abundance, and non-toxic nature. In this study, we employ first-principle density functional theory (DFT) calculations to explore the structural, electronic, and optical properties of Cu2SnS3 as a solar absorber material.

The structural properties of Cu2SnS3 are investigated by optimizing its lattice parameters, atomic positions, and crystal structure. The calculated lattice parameters and atomic positions are found to be in good agreement with experimental data, validating the reliability of our theoretical approach.

The electronic structure of Cu2SnS3 is analyzed by calculating the band structure and density of states (DOS). Our results demonstrate that Cu2SnS3 exhibits a direct bandgap, making it suitable for solar energy conversion. The calculated bandgap value is consistent with experimental observations, confirming the accuracy of our theoretical calculations.

Furthermore, we investigate the optical properties of Cu2SnS3 by calculating its absorption coefficient, refractive index, and reflectivity spectra. The calculated absorption coefficient reveals that Cu2SnS3 possesses good light-harvesting capabilities in the visible and near-infrared regions. The refractive index and reflectivity spectra exhibit distinctive features, indicating the potential of Cu2SnS3 for efficient light trapping and photon absorption.

Overall, our first-principle DFT investigation provides valuable insights into the structural, electronic, and optical properties of Cu2SnS3 as a solar absorber material. The obtained results contribute to a deeper understanding of the material’s characteristics and pave the way for further experimental studies and potential applications in the field of thin-film solar cells.

STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF CU 2 SNS 3 SOLAR ABSORBER: A FIRST-PRINCIPLE DENSITY FUNCTIONAL THEORY INVESTIGATION. GET MORE PHYSICS PROJECT TOPICS AND MATERIALS