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Ternary Cu3BiY3 (Y = S, Se, and Te) for thin-film solar cells
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0002-9050-5445
2013 (English)In: Mater Res Soc Symp Proc, 2013, 235-240 p.Conference paper (Refereed)
Abstract [en]

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
Keyword [en]
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
National Category
Materials Engineering
URN: urn:nbn:se:kth:diva-139448DOI: 10.1557/opl.2013.1014ScopusID: 2-s2.0-84889660880ISBN: 9781605115153OAI: diva2:687726
2013 MRS Spring Meeting, 1 April 2013 through 5 April 2013, San Francisco, CA

QC 20140114

Available from: 2014-01-15 Created: 2014-01-13 Last updated: 2014-01-15Bibliographically approved

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