First-principles study of electronic and optical properties of antimony sulphide thin film

Radzwan, Afiq; Ahmed, Rashid; Shaari, A.; Lawal, Abdullahi

doi:10.1016/j.ijleo.2019.163631

Cited by 6 publications

(1 citation statement)

References 90 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The majority of the lines in the corresponding Raman spectra are indicated at 189, 280, and 306 cm −1 , which are Sb-S stretching modes and attributed to A g modes, respectively [35,37,38,43]. Because Raman spectroscopy is unpolarized, the B 1g /B 3g modes at 234 cm −1 were also observed [44]. The significantly greater number of A g modes compared to the other modes is obviously related to the strong preference for the orientation of the Sb 2 S 3 thin films [45].…”

Section: Raman Spectroscopy Analysismentioning

confidence: 98%

Two-step synthesis of antimony sulfide thin films: enhancement in physical properties through sulfurization

D M,

Prabhu,

Choudhari

et al. 2024

Mater. Res. Express

View full text Add to dashboard Cite

Recently, there has been an increase in the use of antimony sulfide (Sb2S3) in Si-based tandem solar cells as a potential absorber material for top sub-cells. The choice of the material stems from the favoured properties such as appropriate bandgap, simple binary composition, nontoxic elements, and long-term stability. However, the physical properties and practical applicability of these materials depend largely on their synthesis conditions. In this work, we investigate the role of sulfurization on the structural, morphological, compositional, and optical properties of Sb2S3 thin films deposited on soda-lime glass via a thermal evaporation technique. Sulfurization was performed on the as-prepared thin films in a customized Chemical Vapor Deposition (CVD) chamber at five different temperatures. Analysis of the crystallinity of the film using the X-ray diffraction technique illustrates the transformation of the film from impure, poor crystalline phase to phase-pure, and highly crystalline orthorhombic structure due to sulfurization. Scanning electron microscopic investigations of the samples revealed better grains with nanorods on the surface at a temperature of 4000C. For the samples investigated here, the energy values estimated via density functional theory (DFT) calculations agreed well with the experimental data obtained from UV-visible absorption spectral studies. Additionally, it was observed that the desired near-stoichiometric Sb2S3 thin films could be achieved via sulfurization, and the presence of Sb2S3 in all samples was confirmed via Raman spectroscopic studies. Additionally, the defects and trap states of the prepared films were investigated using photoluminescence studies, and donor and acceptor defects were identified. Our study revealed that sulfur rich Sb2S3 films prepared at a sulfurization temperature of 400°C produced the desired structure, morphology, and optical qualities for future photovoltaic applications.

show abstract