First-principles prediction on Ag3SbS4 as a photovoltaic absorberShow others and affiliations
2023 (English)In: Journal of Physics and Chemistry of Solids, ISSN 0022-3697, E-ISSN 1879-2553, Vol. 183, article id 111655Article in journal (Refereed) Published
Abstract [en]
Generally, tetrahedrally coordinated Ag-based chalcogenides have wider band gaps than their Cu-based counterparts. Recent studies have suggested Cu3SbS4 as the absorber in low-cost and low-toxicity photovoltaic (PV), however its band gap is ∼0.5 eV smaller than the ideal value of ∼1.3 eV. In this work, we investigate Ag3SbS4 by first-principles means, since one can anticipate improved optical properties for this compound. The results indeed demonstrate that enargite Ag3SbS4 is a direct-gap semiconductor with a band gap of 1.38 eV, thus optimal for single-junction solar cells. Furthermore, its carrier effective masses, optical coefficients and spectroscopic limited maximum efficiency are comparable to well-established PV compounds. The compound exhibits also thermodynamical and dynamical stability. Hence, based on the present theoretical study we predict that Ag3SbS4 could be a candidate for absorber in high-efficient thin-film PVs.
Place, publisher, year, edition, pages
Elsevier BV , 2023. Vol. 183, article id 111655
Keywords [en]
Ag SbS 3 4, First-principles calculations, Optical property, PV absorber, Stability
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-337783DOI: 10.1016/j.jpcs.2023.111655ISI: 001079220400001Scopus ID: 2-s2.0-85170428285OAI: oai:DiVA.org:kth-337783DiVA, id: diva2:1803392
Note
QC 20231009
2023-10-092023-10-092025-12-05Bibliographically approved