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D.E. Proffit 1 , D.B. Buchholz 1 , R.P.H. Chang 1 , M.J. Bedzyk 1 , T.O. Mason 1 , and Q. Ma 2

X-ray Absorption Spectroscopy Study of the Local Structures of Crystalline Zn-In-Sn Oxide Thin Films. D.E. Proffit 1 , D.B. Buchholz 1 , R.P.H. Chang 1 , M.J. Bedzyk 1 , T.O. Mason 1 , and Q. Ma 2 1 Dept. of Materials Science and Engineering, Northwestern University, Evanston, IL 60208 USA

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D.E. Proffit 1 , D.B. Buchholz 1 , R.P.H. Chang 1 , M.J. Bedzyk 1 , T.O. Mason 1 , and Q. Ma 2

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  1. X-ray Absorption Spectroscopy Study of the Local Structures of Crystalline Zn-In-Sn Oxide Thin Films D.E. Proffit1, D.B. Buchholz1, R.P.H. Chang1, M.J. Bedzyk1, T.O. Mason1, and Q. Ma2 1Dept. of Materials Science and Engineering, Northwestern University, Evanston, IL 60208 USA 2DND-CAT, Northwestern Synchrotron Research Center at Advanced Photon Source, Argonne, IL 60439 USA NU MRSEC members used the Advanced Photon Source at Argonne National Laboratory for X-ray absorption spectroscopy studies of local structure in crystalline ZITO (Zn-In-Sn-O) thin films. Analysis shows that the c-ZITO film structure can be described based upon the bixbyite (In2O3) structure, with evidence that all cations are present in octahedral coordination with the expected charge states (Zn2+, In3+, Sn4+), i.e., Zn and Sn are substitutional dopants (for In). Further analysis suggests an oxygen rearrangement, in which oxygen anions are transferred from being near-neighbors of Zn (under-coordinated) to being near-neighbors of Sn (over-coordinated). Furthermore, extra uncompensated Sn species may form the same Frank-Köstlin clusters, (2SnIn•Oi")X, observed in bulk c-ZITO, and may be the origin of the n-type character of c-ZITO (some of these clusters are reduced). This work provides guidance for the processing-structure-properties relationships when optimizing c-ZITO thin film transparent conducting oxide (TCO) performance, and will also provide a platform for understanding the local structure/chemistry of amorphous ZITO. Both crystalline and amorphous ZITO are useful as transparent electrodes in applications such as photovoltaics, light emitting displays (LEDs), and emerging flexible electronics. This work is supported in part by the NSF MRSEC program at Northwestern University under grant no. DMR-0520513 (DBB, RPHC, MJB, TOM) and in part by the U.S. Dept. of Energy under grant no. DE-FG02-08ER46536 (DBB, RPHC, TOM). DEP acknowledges support of an NSF Graduate Research Fellowship. DND-CAT is supported by the E.I. DuPont de Nemours & Co., The Dow Chemical Co., the NSF via grant no. DMR-9304725 (MJB, QM) and the State of Illinois via Grant IBHE HECA NWU 96. The APS is supported by the DOE via Contract no. DE-AC02-06CH11357.

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