Journal Article

DESY-2013-00713

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Atomic-scale structure, cation distribution, and bandgap bowing in Cu(In,Ga)Se2 and Cu(In,Ga)S2

Eckner, S. ; Kämmer, H. ; Steinbach, T.Extern*HAS-User, Extern* ; Gnauck, M.Extern*HAS-User, Extern* ; Johannes, A.Extern*HAS-User, Extern* ; Stephan, C.Extern*HAS-User, Extern* ; Schorr, S.Extern*HAS-User, Extern* ; Schnohr, C. S. (Corresponding author)

2013
American Institute of Physics Melville, NY

This record in other databases:    

Please use a persistent id in citations: doi:10.1063/1.4819225  doi:10.3204/DESY-2013-00713

Abstract: 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.

Note: (c) AIP Publishing LLC

---

Contributing Institute(s):

1. DOOR-User (DOOR)

Research Program(s):

1. DORIS Beamline C (POF2-54G13) (POF2-54G13)
2. FS-Proposal: I-20100027 (I-20100027) (I-20100027)
3. FS-Proposal: I-20110135 (I-20110135) (I-20110135)

Experiment(s):

1. DORIS Beamline C (DORIS III)

Appears in the scientific report 2013

---

Database coverage:
; ; Allianz-Lizenz / DFG ; Current Contents - Social and Behavioral Sciences ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

---