Structural, Electronic, Lattice Dynamic, and Elastic Properties of SnTiO₃ and PbTiO₃ Using Density Functional Theory

Table 4

Born effective charge tensor of Pb, Sn, and Ti of SnTiO₃ and PbTiO₃ in the ferroelectric phase.

of Sn and Ti of SnTiO3			of Pb and Ti of PbTiO3
Sn	Sn11	4.21722	Pb	Pb11	3.84594
	Sn22	4.21722		Pb22	3.84594
	Sn33	4.04787		Pb33	3.63015
Ti	Ti11	7.57676	Ti	Ti11	7.77463
	Ti22	7.57676		Ti22	7.77463
	Ti33	6.70695		Ti33	6.55227