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http://hdl.handle.net/1942/31671
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DC Field | Value | Language |
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dc.contributor.author | DE WILD, Jessica | - |
dc.contributor.author | Kalesaki, E | - |
dc.contributor.author | Wirtz, L | - |
dc.contributor.author | Dale, PJ | - |
dc.date.accessioned | 2020-08-12T08:15:33Z | - |
dc.date.available | 2020-08-12T08:15:33Z | - |
dc.date.issued | 2017 | - |
dc.date.submitted | 2020-08-12T07:20:45Z | - |
dc.identifier.citation | Physica Status Solidi-Rapid Research Letters, 11 (2) , p. 1600410 | - |
dc.identifier.uri | http://hdl.handle.net/1942/31671 | - |
dc.description.abstract | We perform a detailed analysis of the valence band splitting (VBS) effect on the absorption spectra of monoclinic Cu-2(Sn, Ge, Si)S-3 combining theory and experiment. We calculate the imaginary part of the dielectric function for all three compounds using hybrid functionals and maximally localized Wannier functions in remarkably dense k-meshes to ensure an accurate description of the low energy spectral regime. We find that the VBS will affect the absorption spectra of these materials leading to multiple absorption onsets. Our experimental spectra on Cu-2(Sn, Ge)S-3, analysed using both Tauc plots and inflection points, verify this prediction. A good agreement between theory and experiment in terms of VBS values is recorded. (C) 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim | - |
dc.description.sponsorship | E. K. and J. dW. contributed equally to this work. Calculations were carried out using the HPC facili-ties of the University of Luxembourg. E. K. and L. W. acknowl-edge support from the National Research Fund, Luxembourg, through Project No. C12/MS/3987081/TSDSN and J. dW and P. J. D through the FNR project EATSS nºC13/MS/5898466 | - |
dc.language.iso | en | - |
dc.publisher | WILEY-V C H VERLAG GMBH | - |
dc.rights | 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim | - |
dc.subject.other | density functional theory | - |
dc.subject.other | Wannier functions | - |
dc.subject.other | Cu2SnS3 | - |
dc.subject.other | Cu2GeS3 | - |
dc.subject.other | Cu2SiS3 | - |
dc.subject.other | photovoltaics | - |
dc.subject.other | optical absorption | - |
dc.subject.other | valence band splitting | - |
dc.title | Valence band splitting in Cu-2(Sn,Ge,Si)S-3: Effect on optical absorption spectra | - |
dc.type | Journal Contribution | - |
dc.identifier.issue | 2 | - |
dc.identifier.spage | 1600410 | - |
dc.identifier.volume | 11 | - |
local.bibliographicCitation.jcat | A1 | - |
local.publisher.place | POSTFACH 101161, 69451 WEINHEIM, GERMANY | - |
local.type.refereed | Refereed | - |
local.type.specified | Article | - |
dc.identifier.doi | 10.1002/pssr.201600410 | - |
dc.identifier.isi | WOS:000397273000009 | - |
dc.identifier.eissn | - | |
local.provider.type | Web of Science | - |
item.fulltext | With Fulltext | - |
item.contributor | DE WILD, Jessica | - |
item.contributor | Kalesaki, E | - |
item.contributor | Wirtz, L | - |
item.contributor | Dale, PJ | - |
item.accessRights | Restricted Access | - |
item.fullcitation | DE WILD, Jessica; Kalesaki, E; Wirtz, L & Dale, PJ (2017) Valence band splitting in Cu-2(Sn,Ge,Si)S-3: Effect on optical absorption spectra. In: Physica Status Solidi-Rapid Research Letters, 11 (2) , p. 1600410. | - |
crisitem.journal.issn | 1862-6254 | - |
crisitem.journal.eissn | 1862-6270 | - |
Appears in Collections: | Research publications |
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pssr.201600410.pdf Restricted Access | Published version | 436.4 kB | Adobe PDF | View/Open Request a copy |
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