@@ -13,7 +13,7 @@ Dipole moment i.e. local polarization $`P_u`$ of each unit cell calculated using
where $`V_u`$ is the volume of the unit cell, $`Z_{Ti}^*`$, $`Z_{Ba}^*`$, $`Z_{O}^*`$ are the charges of the Ti, Ba and O atoms obtained using the Electron Equilibration Method (EEM) approach in ReaxFF, and $`r_{Ti} (t)`$,$`r_{Ba,i} (t)`$,$`r_{O,i} (t)`$ are the positions of the Ti, Ba and O atoms of each unit cell at time $`t`$ [1].
<bold> Fig. (A) shows a unit cell of the BaTiO3 (top), following Ti atoms motion resulted in the UP and DOWN polarization, (red arrow) points out the UP and DOWN polarization in a sectional view of BaTiO3 at equilibrium state(bottom).[2] </bold>
