Reference : Valence band splitting in Cu2(Sn,Ge, Si)S3: effect on optical absorption spectra
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/10993/29584
Valence band splitting in Cu2(Sn,Ge, Si)S3: effect on optical absorption spectra
English
De Wild, Jessica mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
Kalesaki, Efterpi mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
Wirtz, Ludger mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
Dale, Phillip mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
2017
Physica Status Solidi. Rapid Research Letters
Yes
International
[en] density functional theory ; Cu2GeS3 ; Cu2SnS3 ; valence band splitting ; optical absorption ; photovoltaics
[en] We perform a detailed analysis of the valence band splitting (VBS) effect on the absorption spectra of monoclinic Cu2(Sn,Ge,Si)S3 combining theory and experiment. We cal- culate the imaginary part of the dielectric function for all three compounds using hybrid functionals and maximally lo- calized 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 Cu2(Sn,Ge)S3, 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.
http://hdl.handle.net/10993/29584
10.1002/pssr.201600410
FnR ; FNR5898466 > Phillip Dale > EATSS > Earth Abundant Ternary Semiconductor for thin film Solar > 01/03/2014 > 28/02/2017 > 2013; FNR3987081 > Ludger Wirtz > TSDSN > Theoretical Spectroscopy Of Defects In Semiconductors And Nanomaterials > 01/02/2013 > 31/01/2016 > 2012

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