TY  - JOUR
AU  - Eckner, S.
AU  - Kämmer, H.
AU  - Steinbach, Tobias
AU  - Gnauck, Martin
AU  - Johannes, Andreas
AU  - Stephan, Christiane
AU  - Schorr, Susan
AU  - Schnohr, C. S.
TI  - Atomic-scale structure, cation distribution, and bandgap bowing in Cu(In,Ga)Se2 and Cu(In,Ga)S2
JO  - Applied physics letters
VL  - 103
SN  - 1077-3118
CY  - Melville, NY
PB  - American Institute of Physics
M1  - DESY-2013-00713
SP  - 081905
PY  - 2013
N1  - (c) AIP Publishing LLC
AB  - Mixed chalcopyrite semiconductors like Cu(In,Ga)S2 and Cu(In,Ga)Se2 are characterized by thecoexistence of different local atomic arrangements around the S or Se anion. The resulting aniondisplacement strongly influences the material bandgap. We studied the atomic-scale structure ofCu(In,Ga)S2 as a function of composition using x-ray absorption spectroscopy and valence forcefield simulations. Applying a specially developed model for not fully random cation distributions,we find that structural relaxation of the anion with respect to In and Ga contributes significantlymore to the bandgap bowing observed for Cu(In,Ga)S2 and Cu(In,Ga)Se2 than relaxation withrespect to Cu and group-III atoms.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000323788100020
DO  - DOI:10.1063/1.4819225
UR  - https://bib-pubdb1.desy.de/record/153803
ER  -