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    • PbTiO3: Dipole moment of a Pb-O vacancy pair 

      Burton, Benjamin P. (2013-04-08)
      The polarization of a nearest-neighbor (nn) Pb-O vacancy pair [(VPb-VO)nn] in PbTiO3 is calculated, using the modern theory of polarization, implemented in the density-functional-theory ultrasoft pseudopotential formalism. ...