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000153803 1001_ $$0P:(DE-HGF)0$$aEckner, S.$$b0
000153803 245__ $$aAtomic-scale structure, cation distribution, and bandgap bowing in Cu(In,Ga)Se2 and Cu(In,Ga)S2
000153803 260__ $$aMelville, NY$$bAmerican Institute of Physics$$c2013
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000153803 520__ $$aMixed 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.
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000153803 7001_ $$0P:(DE-HGF)0$$aKämmer, H.$$b1
000153803 7001_ $$0P:(DE-H253)PIP1012822$$aSteinbach, Tobias$$b2
000153803 7001_ $$0P:(DE-H253)PIP1013646$$aGnauck, Martin$$b3
000153803 7001_ $$0P:(DE-H253)PIP1016219$$aJohannes, Andreas$$b4
000153803 7001_ $$0P:(DE-H253)PIP1011891$$aStephan, Christiane$$b5
000153803 7001_ $$0P:(DE-H253)PIP1011052$$aSchorr, Susan$$b6
000153803 7001_ $$0P:(DE-HGF)0$$aSchnohr, C. S.$$b7$$eCorresponding author
000153803 773__ $$0PERI:(DE-600)1469436-0$$a10.1063/1.4819225$$p081905$$tApplied physics letters$$v103$$x1077-3118$$y2013
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