Dear All, 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, Best regards, Abhishek Mishra TSU, JNCASR, Bangalore -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131217/68fbbca4/attachment.html
