Ternary Cu3BiY3 (Y = S, Se, and Te) for thin-film solar cells
2013 (English)In: Mater Res Soc Symp Proc, 2013, 235-240 p.Conference paper (Refereed)
Very recently, Cu3BiS3 has been suggested as an alternative material for photovoltaic (PV) thin-film technologies. In this work, we analyze the electronic and optical properties of Cu3BiY 3 with the anion elements Y = S, Se, and Te, employing a first-principles approach within the density function theory. We find that the three Cu2BiY3 compounds have indirect band gaps and the gap energies are in the region of 1.2-1.7 eV. The energy dispersions of the lowest conduction bands are small, and therefore the direct gap energies are only ∼0.1 eV larger than the fundamental gap energies. The flat conduction bands are explained by the presence of localized Bi p-states in the band gap region. Flat energy dispersion implies a large optical absorption, and the calculations reveal that the absorption coefficient of Cu3BiY 3 is larger than 105 cm-1 for photon energies of ∼2.5 eV. The absorption is stronger than other Cu-S based materials like CuInS2 and Cu2ZnSnS4. Thereby, Cu 3BiY3 has the potential to be a suitable material in thin-film PV technologies.
Place, publisher, year, edition, pages
2013. 235-240 p.
, Materials Research Society Symposium Proceedings, ISSN 0272-9172 ; 1538
Absorption co-efficient, Alternative materials, Density function theory, Electronic and optical properties, Energy dispersions, First-principles approaches, Thin-film solar cells, Thin-film technology, Calculations, Conduction bands, Copper compounds, Dispersions, Energy gap, Copper
IdentifiersURN: urn:nbn:se:kth:diva-139448DOI: 10.1557/opl.2013.1014ScopusID: 2-s2.0-84889660880ISBN: 9781605115153OAI: oai:DiVA.org:kth-139448DiVA: diva2:687726
2013 MRS Spring Meeting, 1 April 2013 through 5 April 2013, San Francisco, CA
QC 201401142014-01-152014-01-132014-01-15Bibliographically approved