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The geometry optimization, density of state (DOS) and lattice dynamic (born effective charges (BEC) and phonon dispersion) of SnTiO 3 (STO) and SnZrO 3 (SZO) cubic are investigated via first-principles computational methods. The results of DOS show that effect of different B-site cation–(Ti 3d, Zr 4d) states play an important role in chemical interaction particularly in changing of...
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