Narrow Results

We have performed ab-initio investigation of SrTiO₃ with cubic structure, and have computed its structural and electronic properties. The calculations are performed using a plane wave expansion within the local density approximation and the pseudopotential approximation. Results are given for the lattice constant, bulk modulus and charge density. The lattice parameter and bulk modulus calculated for SrTiO₃within LDA are 3.908 Å and 184.6832 GPa respectively. It is found that the calculated lattice parameter and bulk modulus are in good agreement with the available experimental data. The charge density plots show higher accumulation of charge around the boundary and corners. All these calculations have been carried out using ABINIT computer code.