Electronic structures and optical responses of Sb2S3, Ag2S, AgSbS2, and Ag3SbS3 compounds: an assessment of DFT calculations

• Published in: Indian journal of physics Vol. 98; no. 3; pp. 955 - 966
• Main Authors: Benslimane, A., Kouidri, S., Rached, H., El Keurti, M., Meliani, S., Ould Moussa, M.
• Format: Journal Article
• Language: English
• Published: New Delhi Springer India 01.03.2024; Springer Nature B.V
• Subjects: Antimony compounds; Astrophysics and Astroparticles; Energy gap; Mathematical analysis; Optoelectronics; Original Paper; Physics; Physics and Astronomy; Photovoltaic applications; Optical responses; DFT

A DFT investigation was made to explore the electronic structures and optical responses of the binary antimony compounds Sb 2 S 3 and Ag 2 S and their ternary compounds AgSbS 2 and Ag 3 SbS 3 . The electronic band structures and state densities have revealed indirect and direct band gaps of 1.492 eV...