[Pw_forum] Anomalously low Born effective charges
mishralu at gmail.com
Tue Dec 17 15:11:50 CET 2013
I am working on a compound in which few atoms have Born effective
charge(BEC) values anomalously *smaller*. I know that Anomalously large
Born dynamical charges in perovskite oxides are known to be indicators of
their tendency to turn polar through cation off-centering. I wonder that is
their any interpretation if the BECs are anomalously *smaller* and not
larger than the ionic expectation. How should one understand that behavior?
Many Thanks in Advance,
TSU, JNCASR, Bangalore
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