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Electronic structure calculations of cubic SrTiO 3 and SrHfO 3 are presented. The full-potential linear augmented-plane-wave method is used and exchange-correlation effects are treated by the local-density approximation. The tendency to ferroelectricity of both compounds is explored and compared by displacing the transition metal atom ͑Ti or Hf͒ towards one of the oxygens ͑001 direction͒. The calculations show that ferroelectricity is favored in SrTiO 3 with respect to SrHfO 3 and that thisdoi:10.1103/physrevb.55.164 fatcat:jbhhqtbx65agrd354enhwxlc5y