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Figure 4
MS calculations of the O K-edge ELNES in Ba2TiO4. (a) 10-O-atom only cluster calculation; (b) the decomposed calculation of a two-shell cluster taking O2 as the center, suppressing d bases of Ti and Ba; (c) the same as (b) but only suppressing Ba d bases; (d) the same as (b) but only suppressing the Ti d bases; (e) the normal two-shell cluster results.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 9| Part 6| November 2002| Pages 394-400
doi:10.1107/S0909049502014000
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