Slides - International Centre for Theoretical Sciences
Slides - International Centre for Theoretical Sciences
Slides - International Centre for Theoretical Sciences
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PbTiO 3 Pb displaced<br />
Pb 6s<br />
0.59 a.u.<br />
Z*x(Pb)=3.86 a.u.<br />
Zn = 2 a.u.<br />
Za = 1.86 a.u.<br />
O 2py<br />
0.49 a.u.<br />
Strong Pb(6s)-O(2p) coupling:<br />
Streochemically Active Lone pair e on Pb and Bi<br />
J Bhattacharjee and U Waghmare, PCCP 12, 1564 (2010)
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