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@ARTICLE{Ritter:442178,
author = {Ritter, Konrad and Eckner, Stefanie and Preiß, Cora and
Gurieva, Galina and Bischoff, Thomas and Welter, Edmund and
Botti, Silvana and Schorr, Susan and Schnohr, Claudia},
title = {{A}tomic scale structure and its impact on the band gap
energy for {C}u$_{2}${Z}n({S}n,{G}e){S}e$_{4}$ kesterite
alloys},
journal = {JPhys energy},
volume = {2},
number = {3},
issn = {2515-7655},
address = {Bristol},
publisher = {IOP Publishing},
reportid = {PUBDB-2020-02921},
pages = {035004: 1-9},
year = {2020},
abstract = {Kesterite based materials gain more and more relevance in
the pursuit of affordable, efficient and flexible absorber
materials for thin film photovoltaics. Alloying
Cu$_{2}$ZnSnSe$_{4}$ with Ge could allow controlled band gap
engineering as already established for Cu(In,Ga)(S,Se)$_{2}$
based solar cells. This study investigates the local atomic
arrangements of Cu$_{2}$Zn(Sn,Ge)Se$_{4}$ alloys by means of
low temperature Extended x-ray Absorbtion Fine Structure
Spectroscopy. The element specific bond lengths are used
together with x-ray diffraction data to derive the anion
positions of the different local configurations. Ab initio
theoretical calculations are performed to predict the
influence of structural parameters such as anion position
and lattice constants on the band gap energy. Combining the
results of the experimental and theoretical studies suggests
that the overall influence of the structural changes on the
band gap bowing due to alloying is significant yet smaller
than the total non-linear change of the band gap energy.
Consequently, it is concluded, that band gap bowing stems
from both structural and electronic changes.},
cin = {DOOR ; HAS-User / FS-PET-S},
ddc = {530},
cid = {I:(DE-H253)HAS-User-20120731 /
I:(DE-H253)FS-PET-S-20190712},
pnm = {6213 - Materials and Processes for Energy and Transport
Technologies (POF3-621) / 6G3 - PETRA III (POF3-622) /
FS-Proposal: I-20160075 (I-20160075)},
pid = {G:(DE-HGF)POF3-6213 / G:(DE-HGF)POF3-6G3 /
G:(DE-H253)I-20160075},
experiment = {EXP:(DE-H253)P-P65-20150101},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000569866800001},
doi = {10.1088/2515-7655/ab9d8b},
url = {https://bib-pubdb1.desy.de/record/442178},
}