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Structural and elastic properties of cubic single crystals as well as tetragonal, orthorhombic and rhombohedral of ATiO 3 (A=Ba, Ca, Pb, Sr) were investigated using the density function theory as implemented in pseudo-potential plane wave. Generalized gradient approximation (GGA) or Local Density Approximation (LDA) is employed in order to treat the exchange–correlation effects. The calculated...
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