Dear all,
I am doing a high pressure study on CaO and I want to investigate the bond
property under compression. The Born effective tensor of cubic CaO has only one
independent component. The Born effective charge for Ca are larger than the
nominal ionic charge +2 and increase with pressure. Does this mean the bond
become more ionic or more covalent? Since the it increase with pressure, can
we say that more charge transfer from Ca to O in this case?
Any reply will be appreciated.
Thanks and regards.
Lily
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